![QGQ QGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QGQ.svg) | QGQ | Name: | 3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole | Formula: | C11 H13 N3 O S | SMILES: | Cc1onc(C)c1CSc2cc(C)ncn2 | InChi: | InChI=1S/C11H13N3OS/c1-7-4-11(13-6-12-7)16-5-10-8(2)14-15-9(10)3/h4,6H,5H2,1-3H3 | Definition date: | 2020-06-16 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 3,5-dimethyl-4-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole |
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![QHE QHE](https://data.pdbj.org/pdbjplus/data/cc/svg/QHE.svg) | QHE | Name: | 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole | Formula: | C12 H11 N3 S | SMILES: | CCc1nnc2scc(n12)c3ccccc3 | InChi: | InChI=1S/C12H11N3S/c1-2-11-13-14-12-15(11)10(8-16-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3 | Definition date: | 2020-06-17 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 3-ethyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole |
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![QKZ QKZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QKZ.svg) | QKZ | Name: | 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide | Formula: | C12 H10 Cl N3 O | SMILES: | Clc1ccc(CC(=O)Nc2ncccn2)cc1 | InChi: | InChI=1S/C12H10ClN3O/c13-10-4-2-9(3-5-10)8-11(17)16-12-14-6-1-7-15-12/h1-7H,8H2,(H,14,15,16,17) | Definition date: | 2020-06-23 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide |
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![QL5 QL5](https://data.pdbj.org/pdbjplus/data/cc/svg/QL5.svg) | QL5 | Name: | (2,5-dimethylphenyl) pyridine-4-carboxylate | Formula: | C14 H13 N O2 | SMILES: | Cc1ccc(C)c(OC(=O)c2ccncc2)c1 | InChi: | InChI=1S/C14H13NO2/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3 | Definition date: | 2020-06-23 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | (2,5-dimethylphenyl) pyridine-4-carboxylate |
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![J0V J0V](https://data.pdbj.org/pdbjplus/data/cc/svg/J0V.svg) | J0V | Name: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid | Formula: | C19 H18 O6 S | SMILES: | c3c4c1c(c(C)c(o1)S(=O)(=O)O)C(=O)C(=O)c4c2c(C(C)(CCC2)C)c3 | InChi: | InChI=1S/C19H18O6S/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24/h6-7H,4-5,8H2,1-3H3,(H,22,23,24) | Definition date: | 2018-08-02 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid |
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![DKR DKR](https://data.pdbj.org/pdbjplus/data/cc/svg/DKR.svg) | DKR | Name: | N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide | Formula: | C13 H14 N2 O | SMILES: | Cc1ccc(CNC(=O)c2[nH]ccc2)cc1 | InChi: | InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-13(16)12-3-2-8-14-12/h2-8,14H,9H2,1H3,(H,15,16) | Definition date: | 2019-08-08 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | ~{N}-[(4-methylphenyl)methyl]-1~{H}-pyrrole-2-carboxamide |
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![FK3 FK3](https://data.pdbj.org/pdbjplus/data/cc/svg/FK3.svg) | FK3 | Name: | (3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide | Formula: | C18 H29 N3 O4 | SMILES: | CCC[CH](NC(=O)[CH]1[CH]2CCC[CH]2CN1C=O)[CH](O)C(=O)NC3CC3 | InChi: | InChI=1S/C18H29N3O4/c1-2-4-14(16(23)18(25)19-12-7-8-12)20-17(24)15-13-6-3-5-11(13)9-21(15)10-22/h10-16,23H,2-9H2,1H3,(H,19,25)(H,20,24)/t11-,13-,14-,15-,16+/m0/s1 | Definition date: | 2020-05-28 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | (3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
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![LV2 LV2](https://data.pdbj.org/pdbjplus/data/cc/svg/LV2.svg) | LV2 | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C11 H18 N3 O8 P | SMILES: | CN(C)C1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C11H18N3O8P/c1-13(2)7-3-4-14(11(17)12-7)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h3-4,6,8-10,15-16H,5H2,1-2H3,(H2,18,19,20)/t6-,8-,9-,10-/m1/s1 | Definition date: | 2019-09-10 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![D9F D9F](https://data.pdbj.org/pdbjplus/data/cc/svg/D9F.svg) | D9F | Name: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one | Formula: | C24 H34 O5 | SMILES: | C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](O)CC=CC=CC(=O)O1 | InChi: | InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8-,18-12-/t20-,21-,22+,23+/m1/s1 | Definition date: | 2019-07-24 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one |
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![D9L D9L](https://data.pdbj.org/pdbjplus/data/cc/svg/D9L.svg) | D9L | Name: | 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid | Formula: | C8 H13 N O4 S | SMILES: | CC(=O)NCCSC(=O)CCC(O)=O | InChi: | InChI=1S/C8H13NO4S/c1-6(10)9-4-5-14-8(13)3-2-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12) | Definition date: | 2019-07-24 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid |
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![D9O D9O](https://data.pdbj.org/pdbjplus/data/cc/svg/D9O.svg) | D9O | Name: | 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid | Formula: | C28 H38 O8 | SMILES: | C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](CC=CC=CC(=O)O1)OC(=O)CCC(O)=O | InChi: | InChI=1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5+,11-6-,14-8-,16-10+,18-12+/t22-,23+,24+,25-/m1/s1 | Definition date: | 2019-07-24 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid |
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![F2X F2X](https://data.pdbj.org/pdbjplus/data/cc/svg/F2X.svg) | F2X | Name: | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione | Formula: | C11 H10 O3 | SMILES: | C[CH]1CC(=O)c2c(O)cccc2C1=O | InChi: | InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1 | Definition date: | 2020-03-18 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione |
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![MKB MKB](https://data.pdbj.org/pdbjplus/data/cc/svg/MKB.svg) | MKB | Name: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one | Formula: | C20 H18 N4 O5 S | SMILES: | O=C1Nc2ccc(cc2O1)[S](=O)(=O)N3CCN(CC3)C(=O)c4ccc5[nH]ccc5c4 | InChi: | InChI=1S/C20H18N4O5S/c25-19(14-1-3-16-13(11-14)5-6-21-16)23-7-9-24(10-8-23)30(27,28)15-2-4-17-18(12-15)29-20(26)22-17/h1-6,11-12,21H,7-10H2,(H,22,26) | Definition date: | 2019-10-16 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one |
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![N14 N14](https://data.pdbj.org/pdbjplus/data/cc/svg/N14.svg) | N14 | Name: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Formula: | C23 H29 F N8 | SMILES: | C5CCn1c(c(cn1)c2c(cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)F)C(C5)C | InChi: | InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m0/s1 | Definition date: | 2019-04-29 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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![N1A N1A](https://data.pdbj.org/pdbjplus/data/cc/svg/N1A.svg) | N1A | Name: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Formula: | C23 H29 F N8 | SMILES: | C5Cn1c(c(cn1)c2c(F)cnc(n2)Nc3ccc(cn3)N4CCN(CC4)C)C(C)CC5 | InChi: | InChI=1S/C23H29FN8/c1-16-5-3-4-8-32-22(16)18(14-27-32)21-19(24)15-26-23(29-21)28-20-7-6-17(13-25-20)31-11-9-30(2)10-12-31/h6-7,13-16H,3-5,8-12H2,1-2H3,(H,25,26,28,29)/t16-/m1/s1 | Definition date: | 2019-04-29 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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![N1J N1J](https://data.pdbj.org/pdbjplus/data/cc/svg/N1J.svg) | N1J | Name: | N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Formula: | C25 H31 F N8 | SMILES: | C6C1(CN(C1)c5ccc(Nc4ncc(F)c(c3c2n(CCCCC2C)nc3)n4)nc5)CN6CC | InChi: | InChI=1S/C25H31FN8/c1-3-32-13-25(14-32)15-33(16-25)18-7-8-21(27-10-18)30-24-28-12-20(26)22(31-24)19-11-29-34-9-5-4-6-17(2)23(19)34/h7-8,10-12,17H,3-6,9,13-16H2,1-2H3,(H,27,28,30,31)/t17-/m1/s1 | Definition date: | 2019-04-29 | Last modified: | 2020-07-24 | Release date: | 2020-07-29 | Identifier: | N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
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![QV4 QV4](https://data.pdbj.org/pdbjplus/data/cc/svg/QV4.svg) | QV4 | Name: | 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose | Formula: | C31 H53 N O23 | SMILES: | O(C3C(OC(OC2C(=CC(NC1C(OC(O)C(O)C1O)C)C(O)C2O)CO)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO | InChi: | InChI=1S/C31H53NO23/c1-7-13(16(39)21(44)28(48)49-7)32-9-2-8(3-33)25(18(41)14(9)37)53-30-23(46)19(42)27(11(5-35)51-30)55-31-24(47)20(43)26(12(6-36)52-31)54-29-22(45)17(40)15(38)10(4-34)50-29/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1 | Definition date: | 2007-09-04 | Last modified: | 2020-07-23 | Identifier: | 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose |
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![LAG LAG](https://data.pdbj.org/pdbjplus/data/cc/svg/LAG.svg) | LAG | Name: | MALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE OXIME | Formula: | C18 H32 N2 O15 | SMILES: | O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | InChi: | InChI=1S/C18H32N2O15/c21-1-4-14(9(26)11(28)16(19-4)20-31)34-18-13(30)10(27)15(6(3-23)33-18)35-17-12(29)8(25)7(24)5(2-22)32-17/h4-15,17-18,21-31H,1-3H2,(H,19,20)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1 | Synonyms: | MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM | Definition date: | 2004-08-05 | Last modified: | 2020-07-23 | Identifier: | (2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside |
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![P8E P8E](https://data.pdbj.org/pdbjplus/data/cc/svg/P8E.svg) | P8E | Name: | 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid | Formula: | C9 H18 N2 O6 | SMILES: | CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N | InChi: | InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1 | Definition date: | 2020-06-01 | Last modified: | 2020-07-21 | Release date: | 2020-07-08 | Identifier: | 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid |
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![6LS 6LS](https://data.pdbj.org/pdbjplus/data/cc/svg/6LS.svg) | 6LS | Name: | heptyl 2-deoxy-alpha-D-mannopyranoside | Formula: | C13 H26 O5 | SMILES: | CCCCCCCO[CH]1C[CH](O)[CH](O)[CH](CO)O1 | InChi: | InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-12-8-10(15)13(16)11(9-14)18-12/h10-16H,2-9H2,1H3/t10-,11-,12+,13+/m1/s1 | Synonyms: | 2-Deoxy-Heptylmannoside | Definition date: | 2016-05-27 | Last modified: | 2020-07-18 | Release date: | 2017-06-21 | Identifier: | (2~{R},3~{S},4~{R},6~{S})-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol |
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![GYV GYV](https://data.pdbj.org/pdbjplus/data/cc/svg/GYV.svg) | GYV | Name: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose | Formula: | C9 H16 N2 O7 | SMILES: | O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N | InChi: | InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1 | Synonyms: | 2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE | Definition date: | 2010-01-26 | Last modified: | 2020-07-18 | Identifier: | 2-(acetylamino)-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose |
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![TUR TUR](https://data.pdbj.org/pdbjplus/data/cc/svg/TUR.svg) | TUR | Name: | 3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose | Formula: | C12 H22 O11 | SMILES: | O(C1C(O)C(OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O | InChi: | InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 | Definition date: | 2011-11-01 | Last modified: | 2020-07-17 | Identifier: | 3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose |
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![U9M U9M](https://data.pdbj.org/pdbjplus/data/cc/svg/U9M.svg) | U9M | Name: | (2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol | Formula: | C8 H16 O7 | SMILES: | OC1C(OC(C(C1OC)OC)O)C(O)O | InChi: | InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5-,6+,8+/m0/s1 | Definition date: | 2020-05-05 | Last modified: | 2020-07-17 | Release date: | 2020-07-29 | Identifier: | (2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name) |
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![UMV UMV](https://data.pdbj.org/pdbjplus/data/cc/svg/UMV.svg) | UMV | Name: | methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate | Formula: | C27 H23 N3 O6 | SMILES: | c3c(c(Oc2c(C)c1cc(C#N)ccc1c(c2)CC(=O)OC)ccc3)OCCN4C=CC(NC4=O)=O | InChi: | InChI=1S/C27H23N3O6/c1-17-21-13-18(16-28)7-8-20(21)19(15-26(32)34-2)14-24(17)36-23-6-4-3-5-22(23)35-12-11-30-10-9-25(31)29-27(30)33/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,31,33) | Definition date: | 2020-05-25 | Last modified: | 2020-07-17 | Release date: | 2020-07-22 | Identifier: | methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate |
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![S81 S81](https://data.pdbj.org/pdbjplus/data/cc/svg/S81.svg) | S81 | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside | Formula: | C12 H25 F N4 O5 | SMILES: | C1(C(C(O)C(F)C(CN)O1)N)OC2C(C(O)C(N)CC2N)O | InChi: | InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1 | Synonyms: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucoside | Definition date: | 2015-06-17 | Last modified: | 2020-07-17 | Release date: | 2016-06-22 | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside |
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