![QBJ QBJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QBJ.svg) | QBJ | Name: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid | Formula: | C29 H26 O9 S2 | SMILES: | OC(CCC(=O)c1sc2c(c1)cc(c(c2)OC)OC[C@H]=[C@H]c4cc3cc(C(CCC(=O)O)=O)sc3cc4OC)=O | InChi: | InChI=1S/C29H26O9S2/c1-36-21-14-24-17(12-26(39-24)19(30)5-7-28(32)33)10-16(21)4-3-9-38-23-11-18-13-27(20(31)6-8-29(34)35)40-25(18)15-22(23)37-2/h3-4,10-15H,5-9H2,1-2H3,(H,32,33)(H,34,35)/b4-3- | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid |
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![QKY QKY](https://data.pdbj.org/pdbjplus/data/cc/svg/QKY.svg) | QKY | Name: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one | Formula: | C18 H25 N3 O | SMILES: | N1=C(N)N(C)C(=O)C1(c2ccccc2)CCC3CCCCC3 | InChi: | InChI=1S/C18H25N3O/c1-21-16(22)18(20-17(21)19,15-10-6-3-7-11-15)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H2,19,20)/t18-/m1/s1 | Definition date: | 2019-11-12 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one |
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![QL1 QL1](https://data.pdbj.org/pdbjplus/data/cc/svg/QL1.svg) | QL1 | Name: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one | Formula: | C21 H27 N3 O2 | SMILES: | N4(C(N)=NC(C13CC2CC(C1)CC(C2)C3)(C4=O)c5ccc(cc5)OC)C | InChi: | InChI=1S/C21H27N3O2/c1-24-18(25)21(23-19(24)22,16-3-5-17(26-2)6-4-16)20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H2,22,23)/t13-,14+,15-,20-,21-/m1/s1 | Definition date: | 2019-11-12 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one |
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![CJA CJA](https://data.pdbj.org/pdbjplus/data/cc/svg/CJA.svg) | CJA | Name: | 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one | Formula: | C17 H20 N2 O S3 | SMILES: | c3c2c(c1c(SC)scc1CC2)nc(SCC(C(C)(C)C)=O)n3 | InChi: | InChI=1S/C17H20N2OS3/c1-17(2,3)12(20)9-23-16-18-7-10-5-6-11-8-22-15(21-4)13(11)14(10)19-16/h7-8H,5-6,9H2,1-4H3 | Definition date: | 2017-09-26 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one |
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![G8L G8L](https://data.pdbj.org/pdbjplus/data/cc/svg/G8L.svg) | G8L | Name: | quinoline-8-sulfonamide | Formula: | C9 H8 N2 O2 S | SMILES: | N[S](=O)(=O)c1cccc2cccnc12 | InChi: | InChI=1S/C9H8N2O2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H2,10,12,13) | Definition date: | 2020-08-05 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | quinoline-8-sulfonamide |
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![G8O G8O](https://data.pdbj.org/pdbjplus/data/cc/svg/G8O.svg) | G8O | Name: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid | Formula: | C13 H12 O4 S | SMILES: | COc1cc(OC)c(cc1C(O)=O)c2sccc2 | InChi: | InChI=1S/C13H12O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-7H,1-2H3,(H,14,15) | Definition date: | 2020-08-06 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid |
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![6BV 6BV](https://data.pdbj.org/pdbjplus/data/cc/svg/6BV.svg) | 6BV | Name: | (2~{R},3~{S},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]sulfanyl-oxane-2,3,5-triol | Formula: | C12 H22 O10 S | SMILES: | OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1 | Definition date: | 2019-10-02 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (2~{R},3~{S},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]sulfanyl-oxane-2,3,5-triol |
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![8Y1 8Y1](https://data.pdbj.org/pdbjplus/data/cc/svg/8Y1.svg) | 8Y1 | Name: | 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one | Formula: | C20 H19 N3 O S | SMILES: | NCC(c1ccccc1)N3CCc2c(csc2C3=O)c4cnccc4 | InChi: | InChI=1S/C20H19N3OS/c21-11-18(14-5-2-1-3-6-14)23-10-8-16-17(13-25-19(16)20(23)24)15-7-4-9-22-12-15/h1-7,9,12-13,18H,8,10-11,21H2/t18-/m0/s1 | Definition date: | 2017-03-18 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one |
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![8ZO 8ZO](https://data.pdbj.org/pdbjplus/data/cc/svg/8ZO.svg) | 8ZO | Name: | prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | Formula: | C12 H12 O4 S | SMILES: | C=CCOC(=O)[CH]1C[S](=O)(=O)c2ccccc12 | InChi: | InChI=1S/C12H12O4S/c1-2-7-16-12(13)10-8-17(14,15)11-6-4-3-5-9(10)11/h2-6,10H,1,7-8H2/t10-/m1/s1 | Definition date: | 2017-11-13 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | prop-2-enyl (3~{R})-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate |
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![91A 91A](https://data.pdbj.org/pdbjplus/data/cc/svg/91A.svg) | 91A | Name: | 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one | Formula: | C18 H23 N3 O S | SMILES: | C(C(N2CCc3c(c1cccnc1)csc3C2=O)CN)C(C)C | InChi: | InChI=1S/C18H23N3OS/c1-12(2)8-14(9-19)21-7-5-15-16(11-23-17(15)18(21)22)13-4-3-6-20-10-13/h3-4,6,10-12,14H,5,7-9,19H2,1-2H3/t14-/m1/s1 | Definition date: | 2017-03-27 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one |
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![BV6 BV6](https://data.pdbj.org/pdbjplus/data/cc/svg/BV6.svg) | BV6 | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol | Formula: | C18 H25 N O12 S | SMILES: | OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]1O | InChi: | InChI=1S/C18H25NO12S/c20-5-9-11(22)13(24)14(25)18(31-9)32-16-12(23)10(6-21)30-17(15(16)26)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10+,11-,12+,13+,14-,15+,16+,17-,18+/m1/s1 | Definition date: | 2019-03-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol |
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![DO6 DO6](https://data.pdbj.org/pdbjplus/data/cc/svg/DO6.svg) | DO6 | Name: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone | Formula: | C20 H20 O7 | SMILES: | COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O | InChi: | InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3 | Definition date: | 2019-08-16 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone |
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![M9Z M9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/M9Z.svg) | M9Z | Name: | ~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide | Formula: | C24 H28 N8 O4 S | SMILES: | CN(C1=C(NCCCn2cc(CN)nn2)N(Cc3ccccc3)C(=O)NC1=O)[S](=O)(=O)c4ccccc4 | InChi: | InChI=1S/C24H28N8O4S/c1-30(37(35,36)20-11-6-3-7-12-20)21-22(26-13-8-14-31-17-19(15-25)28-29-31)32(24(34)27-23(21)33)16-18-9-4-2-5-10-18/h2-7,9-12,17,26H,8,13-16,25H2,1H3,(H,27,33,34) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide |
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![MBK MBK](https://data.pdbj.org/pdbjplus/data/cc/svg/MBK.svg) | MBK | Name: | ~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide | Formula: | C22 H26 Br N5 O4 S | SMILES: | CN(C1=C(NCCCCN)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3 | InChi: | InChI=1S/C22H26BrN5O4S/c1-27(33(31,32)18-7-3-2-4-8-18)19-20(25-14-6-5-13-24)28(22(30)26-21(19)29)15-16-9-11-17(23)12-10-16/h2-4,7-12,25H,5-6,13-15,24H2,1H3,(H,26,29,30) | Definition date: | 2019-10-10 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide |
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![MKN MKN](https://data.pdbj.org/pdbjplus/data/cc/svg/MKN.svg) | MKN | Name: | 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole | Formula: | C11 H8 N2 S2 | SMILES: | [nH]1ccc(n1)c2sc(cc2)c3sccc3 | InChi: | InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13) | Definition date: | 2019-10-17 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole |
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![MUK MUK](https://data.pdbj.org/pdbjplus/data/cc/svg/MUK.svg) | MUK | Name: | 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine | Formula: | C12 H13 N3 | SMILES: | Cc1cc(C)nc(Nc2ccccc2)n1 | InChi: | InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) | Definition date: | 2019-10-24 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine |
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![N0E N0E](https://data.pdbj.org/pdbjplus/data/cc/svg/N0E.svg) | N0E | Name: | ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide | Formula: | C15 H15 N O2 | SMILES: | Oc1ccc(NC(=O)CCc2ccccc2)cc1 | InChi: | InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18) | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide |
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![N0H N0H](https://data.pdbj.org/pdbjplus/data/cc/svg/N0H.svg) | N0H | Name: | ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide | Formula: | C14 H13 N O3 | SMILES: | Oc1ccccc1NC(=O)COc2ccccc2 | InChi: | InChI=1S/C14H13NO3/c16-13-9-5-4-8-12(13)15-14(17)10-18-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17) | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide |
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![N0K N0K](https://data.pdbj.org/pdbjplus/data/cc/svg/N0K.svg) | N0K | Name: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-11-7-10-18-17(21)9-8-12-23(18)33(31,32)26-14-6-4-3-5-13-25-20-15-22(29)24(30)19(20)16-28/h7-12,19-20,22,24-26,28-30H,3-6,13-16H2,1-2H3/t19-,20-,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
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![N0N N0N](https://data.pdbj.org/pdbjplus/data/cc/svg/N0N.svg) | N0N | Name: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O6 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
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![N0Q N0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/N0Q.svg) | N0Q | Name: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
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![N0T N0T](https://data.pdbj.org/pdbjplus/data/cc/svg/N0T.svg) | N0T | Name: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol | Formula: | C14 H29 N O4 | SMILES: | CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO | InChi: | InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol |
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![N0W N0W](https://data.pdbj.org/pdbjplus/data/cc/svg/N0W.svg) | N0W | Name: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide | Formula: | C24 H37 N3 O5 S | SMILES: | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO | InChi: | InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20-,22+,24-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | 5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
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![N1E N1E](https://data.pdbj.org/pdbjplus/data/cc/svg/N1E.svg) | N1E | Name: | methyl quinoline-6-carboxylate | Formula: | C11 H9 N O2 | SMILES: | COC(=O)c1ccc2ncccc2c1 | InChi: | InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3 | Definition date: | 2019-11-06 | Last modified: | 2020-08-14 | Release date: | 2020-08-19 | Identifier: | methyl quinoline-6-carboxylate |
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![ROC ROC](https://data.pdbj.org/pdbjplus/data/cc/svg/ROC.svg) | ROC | Name: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1
-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide | Formula: | C38 H50 N6 O5 | SMILES: | O=C(N)CC(NC(=O)c1nc2c(cc1)cccc2)C(=O)NC(Cc3ccccc3)C(O)CN5C(C(=O)NC(C)(C)C)CC4C(CCCC4)C5 | InChi: | InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 | Synonyms: | Fortovase | Definition date: | 2000-01-04 | Last modified: | 2020-08-12 | Identifier: | N~1~-{(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide |
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