![9PK 9PK](https://data.pdbj.org/pdbjplus/data/cc/svg/9PK.svg) | 9PK | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol | Formula: | C26 H39 N3 O16 S | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(COCc5sccc5)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C26H39N3O16S/c30-5-12-15(33)18(36)19(37)25(42-12)45-23-17(35)14(7-32)43-26(21(23)39)44-22-16(34)13(6-31)41-24(20(22)38)29-4-10(27-28-29)8-40-9-11-2-1-3-46-11/h1-4,12-26,30-39H,5-9H2/t12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22+,23+,24-,25+,26+/m1/s1 | Definition date: | 2017-06-20 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol |
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![9PN 9PN](https://data.pdbj.org/pdbjplus/data/cc/svg/9PN.svg) | 9PN | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol | Formula: | C28 H43 N4 O15 | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(CCC[n+]5ccccc5)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C28H43N4O15/c33-10-14-17(36)20(39)21(40)27(44-14)47-25-19(38)16(12-35)45-28(23(25)42)46-24-18(37)15(11-34)43-26(22(24)41)32-9-13(29-30-32)5-4-8-31-6-2-1-3-7-31/h1-3,6-7,9,14-28,33-42H,4-5,8,10-12H2/q+1/t14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26-,27+,28+/m1/s1 | Definition date: | 2017-06-20 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol |
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![9PT 9PT](https://data.pdbj.org/pdbjplus/data/cc/svg/9PT.svg) | 9PT | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol | Formula: | C32 H45 N4 O15 | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(CCC[n+]5cccc6ccccc56)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C32H45N4O15/c37-12-18-21(40)24(43)25(44)31(48-18)51-29-23(42)20(14-39)49-32(27(29)46)50-28-22(41)19(13-38)47-30(26(28)45)36-11-16(33-34-36)7-4-10-35-9-3-6-15-5-1-2-8-17(15)35/h1-3,5-6,8-9,11,18-32,37-46H,4,7,10,12-14H2/q+1/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31+,32+/m1/s1 | Definition date: | 2017-06-21 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol |
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![9PW 9PW](https://data.pdbj.org/pdbjplus/data/cc/svg/9PW.svg) | 9PW | Name: | [4-[[1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium | Formula: | C28 H41 N4 O18 | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](CO)O[CH]([CH]3O)n4cc(COCc5ccc(cc5)[N+](O)=O)nn4)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C28H41N4O18/c33-6-14-17(36)20(39)21(40)27(47-14)50-25-19(38)16(8-35)48-28(23(25)42)49-24-18(37)15(7-34)46-26(22(24)41)31-5-12(29-30-31)10-45-9-11-1-3-13(4-2-11)32(43)44/h1-5,14-28,33-42H,6-10H2,(H,43,44)/q+1/t14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26-,27+,28+/m1/s1 | Definition date: | 2017-06-21 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | [4-[[1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]-1,2,3-triazol-4-yl]methoxymethyl]phenyl]-oxidanyl-oxidanylidene-azanium |
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![9Q5 9Q5](https://data.pdbj.org/pdbjplus/data/cc/svg/9Q5.svg) | 9Q5 | Name: | 5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one | Formula: | C30 H30 F3 N3 O11 S | SMILES: | OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH](OCC5=Cc6c(F)c(F)ccc6OC5=O)[CH]1O | InChi: | InChI=1S/C30H30F3N3O11S/c31-14-3-1-2-12(6-14)17-8-36(35-34-17)22-23(39)19(9-37)46-29(25(22)41)48-30-26(42)27(24(40)20(10-38)47-30)44-11-13-7-15-18(45-28(13)43)5-4-16(32)21(15)33/h1-8,19-20,22-27,29-30,37-42H,9-11H2/t19-,20-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1 | Definition date: | 2017-06-25 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one |
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![9ZJ 9ZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/9ZJ.svg) | 9ZJ | Name: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine | Formula: | C15 H13 Cl F3 N O | SMILES: | C1C(C1)C#CC2(OC(C)Nc3c2cc(cc3)Cl)C(F)(F)F | InChi: | InChI=1S/C15H13ClF3NO/c1-9-20-13-5-4-11(16)8-12(13)14(21-9,15(17,18)19)7-6-10-2-3-10/h4-5,8-10,20H,2-3H2,1H3/t9-,14+/m1/s1 | Definition date: | 2017-06-29 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine |
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![6XQ 6XQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6XQ.svg) | 6XQ | Name: | (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid | Formula: | C38 H45 N3 O5 | SMILES: | COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N3CCC(CC3)c4oc5cc(ccc5c4)[CH](CC(O)=O)C6CC6 | InChi: | InChI=1S/C38H45N3O5/c1-24-7-6-8-35(39-24)41(23-38(2,3)4)37(44)30-14-13-29(45-5)21-32(30)40-17-15-26(16-18-40)33-20-28-12-11-27(19-34(28)46-33)31(22-36(42)43)25-9-10-25/h6-8,11-14,19-21,25-26,31H,9-10,15-18,22-23H2,1-5H3,(H,42,43)/t31-/m0/s1 | Definition date: | 2016-07-18 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid |
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![9C2 9C2](https://data.pdbj.org/pdbjplus/data/cc/svg/9C2.svg) | 9C2 | Name: | [(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate | Formula: | C5 H13 N2 O8 P | SMILES: | NNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O | InChi: | InChI=1S/C5H13N2O8P/c6-7-5(11)4(10)3(9)2(8)1-15-16(12,13)14/h2-4,8-10H,1,6H2,(H,7,11)(H2,12,13,14)/t2-,3-,4+/m1/s1 | Definition date: | 2017-05-05 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | [(2~{R},3~{R},4~{S})-5-diazanyl-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate |
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![9C5 9C5](https://data.pdbj.org/pdbjplus/data/cc/svg/9C5.svg) | 9C5 | Name: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one | Formula: | C17 H17 N3 O2 | SMILES: | CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C17H17N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,21H,10-11H2,1H3,(H,18,19,22) | Definition date: | 2017-05-05 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one |
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![9CE 9CE](https://data.pdbj.org/pdbjplus/data/cc/svg/9CE.svg) | 9CE | Name: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one | Formula: | C14 H11 N3 O | SMILES: | Nc1ccccc1C2=Nc3ccccc3C(=O)N2 | InChi: | InChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18) | Definition date: | 2017-05-05 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one |
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![B7K B7K](https://data.pdbj.org/pdbjplus/data/cc/svg/B7K.svg) | B7K | Name: | 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Formula: | C21 H23 N7 O2 | SMILES: | CC(C)[CH]1C(=O)n2ncc(C#N)c2N=C1c3cnn(c3)C4CCN(CC4)C(=O)C=C | InChi: | InChI=1S/C21H23N7O2/c1-4-17(29)26-7-5-16(6-8-26)27-12-15(11-23-27)19-18(13(2)3)21(30)28-20(25-19)14(9-22)10-24-28/h4,10-13,16,18H,1,5-8H2,2-3H3/t18-/m0/s1 | Definition date: | 2017-09-20 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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![B7Q B7Q](https://data.pdbj.org/pdbjplus/data/cc/svg/B7Q.svg) | B7Q | Name: | 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Formula: | C20 H22 Cl N7 O2 | SMILES: | CC(C)C1=C(Nc2n(ncc2C#N)C1=O)c3cnn(c3)C4CCN(CC4)C(=O)CCl | InChi: | InChI=1S/C20H22ClN7O2/c1-12(2)17-18(25-19-13(8-22)9-24-28(19)20(17)30)14-10-23-27(11-14)15-3-5-26(6-4-15)16(29)7-21/h9-12,15,25H,3-7H2,1-2H3 | Definition date: | 2017-09-20 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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![BFW BFW](https://data.pdbj.org/pdbjplus/data/cc/svg/BFW.svg) | BFW | Name: | 4-N-Furfurylcytosine | Formula: | C9 H9 N3 O2 | SMILES: | O=C1NC(=CC=N1)NCc2occc2 | InChi: | InChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13) | Definition date: | 2017-10-01 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 6-(furan-2-ylmethylamino)-1~{H}-pyrimidin-2-one |
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![8W9 8W9](https://data.pdbj.org/pdbjplus/data/cc/svg/8W9.svg) | 8W9 | Name: | 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one | Formula: | C10 H13 N3 O | SMILES: | CN1C(=O)N(C)c2cc(CN)ccc12 | InChi: | InChI=1S/C10H13N3O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6,11H2,1-2H3 | Definition date: | 2017-10-13 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one |
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![C2Q C2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/C2Q.svg) | C2Q | Name: | [(3~{R})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium | Formula: | C22 H23 N2 O3 S | SMILES: | C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3ccc(C)c4ccccc34)C(O)=O | InChi: | InChI=1S/C22H22N2O3S/c1-13-8-9-14(17-7-5-4-6-16(13)17)10-15-11-19(25)24-18(22(26)27)12-28-21(24)20(15)23(2)3/h4-9,11,18H,10,12H2,1-3H3,(H,26,27)/p+1/t18-/m0/s1 | Definition date: | 2017-11-08 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | [(3~{R})-3-carboxy-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium |
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![C8N C8N](https://data.pdbj.org/pdbjplus/data/cc/svg/C8N.svg) | C8N | Name: | [(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium | Formula: | C21 H21 N2 O3 S | SMILES: | C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O | InChi: | InChI=1S/C21H20N2O3S/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23/h3-9,11,17H,10,12H2,1-2H3,(H,25,26)/p+1/t17-/m1/s1 | Definition date: | 2017-11-20 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | [(3~{S})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium |
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![C8Q C8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/C8Q.svg) | C8Q | Name: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid | Formula: | C20 H17 N O4 S | SMILES: | COC1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O | InChi: | InChI=1S/C20H17NO4S/c1-25-18-14(9-13-7-4-6-12-5-2-3-8-15(12)13)10-17(22)21-16(20(23)24)11-26-19(18)21/h2-8,10,16H,9,11H2,1H3,(H,23,24)/t16-/m0/s1 | Definition date: | 2017-11-20 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
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![CVE CVE](https://data.pdbj.org/pdbjplus/data/cc/svg/CVE.svg) | CVE | Name: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid | Formula: | C27 H27 N7 O7 | SMILES: | C[CH](N1C(=O)N(C)C=C(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)C1=O)C(=O)N[CH](CO)CC(O)=O | InChi: | InChI=1S/C27H27N7O7/c1-15(24(38)30-18(14-35)11-23(36)37)34-26(40)21(13-33(2)27(34)41)32-25(39)16-7-9-17(10-8-16)29-22-12-28-19-5-3-4-6-20(19)31-22/h3-10,12-13,15,18,35H,11,14H2,1-2H3,(H,29,31)(H,30,38)(H,32,39)(H,36,37)/t15-,18+/m1/s1 | Definition date: | 2017-12-07 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid |
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![8F0 8F0](https://data.pdbj.org/pdbjplus/data/cc/svg/8F0.svg) | 8F0 | Name: | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one | Formula: | C22 H27 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4 | InChi: | InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16-/m0/s1 | Definition date: | 2017-06-23 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one |
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![8F6 8F6](https://data.pdbj.org/pdbjplus/data/cc/svg/8F6.svg) | 8F6 | Name: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one | Formula: | C21 H25 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccccc4 | InChi: | InChI=1S/C21H25N3O/c1-14(16-7-5-4-6-8-16)22-17-9-12-19-20(13-17)24(18-10-11-18)15(2)21(25)23(19)3/h4-9,12-15,18,22H,10-11H2,1-3H3/t14-,15-/m1/s1 | Definition date: | 2017-06-23 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{R})-1-phenylethyl]amino]-3~{H}-quinoxalin-2-one |
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![8F9 8F9](https://data.pdbj.org/pdbjplus/data/cc/svg/8F9.svg) | 8F9 | Name: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one | Formula: | C22 H27 N3 O | SMILES: | C[CH](Nc1ccc2N(C)C(=O)[CH](C)N(C3CC3)c2c1)c4ccc(C)cc4 | InChi: | InChI=1S/C22H27N3O/c1-14-5-7-17(8-6-14)15(2)23-18-9-12-20-21(13-18)25(19-10-11-19)16(3)22(26)24(20)4/h5-9,12-13,15-16,19,23H,10-11H2,1-4H3/t15-,16+/m0/s1 | Definition date: | 2017-06-23 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{R})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one |
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![8FC 8FC](https://data.pdbj.org/pdbjplus/data/cc/svg/8FC.svg) | 8FC | Name: | ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide | Formula: | C21 H25 N3 O3 S | SMILES: | CN1C(=O)C(C)(C)N(C2CC2)c3cc(N[S](=O)(=O)c4ccc(C)cc4)ccc13 | InChi: | InChI=1S/C21H25N3O3S/c1-14-5-10-17(11-6-14)28(26,27)22-15-7-12-18-19(13-15)24(16-8-9-16)21(2,3)20(25)23(18)4/h5-7,10-13,16,22H,8-9H2,1-4H3 | Definition date: | 2017-06-23 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | ~{N}-(4-cyclopropyl-1,3,3-trimethyl-2-oxidanylidene-quinoxalin-6-yl)-4-methyl-benzenesulfonamide |
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![BNW BNW](https://data.pdbj.org/pdbjplus/data/cc/svg/BNW.svg) | BNW | Name: | UDP-N-acetyl-muramic acid-4'phosphate | Formula: | C20 H32 N3 O22 P3 | SMILES: | C[CH](O[CH]1[CH](NC(C)=O)[CH](O[CH](CO)[CH]1O[P](O)(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O)=O | InChi: | InChI=1S/C20H32N3O22P3/c1-7(18(29)30)40-16-12(21-8(2)25)19(42-9(5-24)15(16)43-46(32,33)34)44-48(37,38)45-47(35,36)39-6-10-13(27)14(28)17(41-10)23-4-3-11(26)22-20(23)31/h3-4,7,9-10,12-17,19,24,27-28H,5-6H2,1-2H3,(H,21,25)(H,29,30)(H,35,36)(H,37,38)(H,22,26,31)(H2,32,33,34)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 | Definition date: | 2017-10-11 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-phosphonooxy-oxan-4-yl]oxypropanoic acid |
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![BY8 BY8](https://data.pdbj.org/pdbjplus/data/cc/svg/BY8.svg) | BY8 | Name: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid | Formula: | C23 H21 N O3 S | SMILES: | Cc1ccc(CC2=CC(=O)N3[CH](CSC3=C2C4CC4)C(O)=O)c5ccccc15 | InChi: | InChI=1S/C23H21NO3S/c1-13-6-7-15(18-5-3-2-4-17(13)18)10-16-11-20(25)24-19(23(26)27)12-28-22(24)21(16)14-8-9-14/h2-7,11,14,19H,8-10,12H2,1H3,(H,26,27)/t19-/m0/s1 | Definition date: | 2017-10-31 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
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![BYK BYK](https://data.pdbj.org/pdbjplus/data/cc/svg/BYK.svg) | BYK | Name: | [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium | Formula: | C21 H21 N2 O3 S | SMILES: | C[NH+](C)C1=C2SC[CH](N2C(=O)C=C1Cc3cccc4ccccc34)C(O)=O | InChi: | InChI=1S/C21H20N2O3S/c1-22(2)19-15(10-14-8-5-7-13-6-3-4-9-16(13)14)11-18(24)23-17(21(25)26)12-27-20(19)23/h3-9,11,17H,10,12H2,1-2H3,(H,25,26)/p+1/t17-/m0/s1 | Definition date: | 2017-11-01 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium |
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