![4N9 4N9](https://data.pdbj.org/pdbjplus/data/cc/svg/4N9.svg) | 4N9 | Name: | 1-[(4-cyanobenzyl)carbamothioyl]-L-proline | Formula: | C14 H15 N3 O2 S | SMILES: | C(=O)(O)C2N(C(NCc1ccc(cc1)C#N)=S)CCC2 | InChi: | InChI=1S/C14H15N3O2S/c15-8-10-3-5-11(6-4-10)9-16-14(20)17-7-1-2-12(17)13(18)19/h3-6,12H,1-2,7,9H2,(H,16,20)(H,18,19)/t12-/m0/s1 | Definition date: | 2015-04-20 | Last modified: | 2016-09-23 | Release date: | 2016-09-28 | Identifier: | 1-[(4-cyanobenzyl)carbamothioyl]-L-proline |
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![ETU ETU](https://data.pdbj.org/pdbjplus/data/cc/svg/ETU.svg) | ETU | Name: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone | Formula: | C24 H30 Cl N7 O2 | SMILES: | C[CH]1N(CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(Cl)n5n4)CCN(C)C1=O | InChi: | InChI=1S/C24H30ClN7O2/c1-17-23(33)29(2)13-14-30(17)15-16-34-20-5-3-18(4-6-20)19-9-11-31(12-10-19)22-8-7-21-26-27-24(25)32(21)28-22/h3-8,17,19H,9-16H2,1-2H3/t17-/m1/s1 | Definition date: | 2015-08-20 | Last modified: | 2016-09-23 | Release date: | 2016-09-28 | Identifier: | (3R)-4-[2-[4-[1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one |
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![XH8 XH8](https://data.pdbj.org/pdbjplus/data/cc/svg/XH8.svg) | XH8 | Name: | 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2- | Formula: | C18 H20 N4 | SMILES: | Nc1ccc2ccc(CNCCCc3cccnc3)cc2n1 | InChi: | InChI=1S/C18H20N4/c19-18-8-7-16-6-5-15(11-17(16)22-18)13-21-10-2-4-14-3-1-9-20-12-14/h1,3,5-9,11-12,21H,2,4,10,13H2,(H2,19,22) | Definition date: | 2016-06-18 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 7-[(3-pyridin-3-ylpropylamino)methyl]quinolin-2-amine |
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![XNH XNH](https://data.pdbj.org/pdbjplus/data/cc/svg/XNH.svg) | XNH | Name: | (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one | Formula: | C25 H33 N7 O3 | SMILES: | COc1nnc2ccc(nn12)N3CCC(CC3)c4ccc(OCCN5CCN(C)C(=O)[CH]5C)cc4 | InChi: | InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1 | Definition date: | 2016-06-17 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one |
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![T51 T51](https://data.pdbj.org/pdbjplus/data/cc/svg/T51.svg) | T51 | Name: | N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide | Formula: | C34 H35 N5 O5 | SMILES: | O=[N+](c1cc(ccc1)C(=O)Nc2c(cccc2)OCc3ccccc3CNC(=O)c4ccc(cc4)CN5CCN(CC5)C)[O-] | InChi: | InChI=1S/C34H35N5O5/c1-37-17-19-38(20-18-37)23-25-13-15-26(16-14-25)33(40)35-22-28-7-2-3-8-29(28)24-44-32-12-5-4-11-31(32)36-34(41)27-9-6-10-30(21-27)39(42)43/h2-16,21H,17-20,22-24H2,1H3,(H,35,40)(H,36,41) | Definition date: | 2015-09-30 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | N-[2-({2-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide |
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![T53 T53](https://data.pdbj.org/pdbjplus/data/cc/svg/T53.svg) | T53 | Name: | N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide | Formula: | C34 H35 N5 O5 | SMILES: | O=[N+]([O-])c1cccc(c1)C(=O)Nc2ccccc2OCc3cc(ccc3)CNC(=O)c4ccc(cc4)CN5CCN(CC5)C | InChi: | InChI=1S/C34H35N5O5/c1-37-16-18-38(19-17-37)23-25-12-14-28(15-13-25)33(40)35-22-26-6-4-7-27(20-26)24-44-32-11-3-2-10-31(32)36-34(41)29-8-5-9-30(21-29)39(42)43/h2-15,20-21H,16-19,22-24H2,1H3,(H,35,40)(H,36,41) | Definition date: | 2015-09-30 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | N-[2-({3-[({4-[(4-methylpiperazin-1-yl)methyl]benzoyl}amino)methyl]benzyl}oxy)phenyl]-3-nitrobenzamide |
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![MO0 MO0](https://data.pdbj.org/pdbjplus/data/cc/svg/MO0.svg) | MO0 | Name: | mannopine | Formula: | C11 H22 N2 O8 | SMILES: | NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH](O)CO)C(O)=O | InChi: | InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1 | Definition date: | 2016-06-12 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]pentanoic acid |
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![ID1 ID1](https://data.pdbj.org/pdbjplus/data/cc/svg/ID1.svg) | ID1 | Name: | Imipenem | Formula: | C12 H19 N3 O4 S | SMILES: | C[CH](O)[CH](C=O)[CH]1C[CH](SCCN=CN)C(=N1)C(O)=O | InChi: | InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1 | Definition date: | 2015-11-14 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (2~{R},4~{R})-4-[2-[(~{Z})-azanylmethylideneamino]ethylsulfanyl]-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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![67Q 67Q](https://data.pdbj.org/pdbjplus/data/cc/svg/67Q.svg) | 67Q | Name: | 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-4H-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide | Formula: | C18 H19 F2 N5 O3 S2 | SMILES: | c1(c(C)nc(cn1)C(=O)NCC=2CN=C(C)S=2)CNS(c3cc(c(cc3)F)F)(=O)=O | InChi: | InChI=1S/C18H19F2N5O3S2/c1-10-16(9-24-30(27,28)13-3-4-14(19)15(20)5-13)22-8-17(25-10)18(26)23-7-12-6-21-11(2)29-12/h3-5,8,24,29H,6-7,9H2,1-2H3,(H,23,26) | Definition date: | 2016-02-15 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 5-({[(3,4-difluorophenyl)sulfonyl]amino}methyl)-6-methyl-N-[(2-methyl-4H-1lambda~4~,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide |
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![67R 67R](https://data.pdbj.org/pdbjplus/data/cc/svg/67R.svg) | 67R | Name: | 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide | Formula: | C17 H15 Cl F N5 O3 S2 | SMILES: | c1(ccc(cc1Cl)S(NCc3ncc(C(=O)NCc2cnc(s2)C)nc3)(=O)=O)F | InChi: | InChI=1S/C17H15ClFN5O3S2/c1-10-20-7-12(28-10)8-23-17(25)16-9-21-11(5-22-16)6-24-29(26,27)13-2-3-15(19)14(18)4-13/h2-5,7,9,24H,6,8H2,1H3,(H,23,25) | Definition date: | 2016-02-15 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 5-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide |
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![6BH 6BH](https://data.pdbj.org/pdbjplus/data/cc/svg/6BH.svg) | 6BH | Name: | N-[3-(benzyloxy)phenyl]-3-nitrobenzamide | Formula: | C20 H16 N2 O4 | SMILES: | O=[N+]([O-])c1cccc(c1)C(=O)Nc2cccc(c2)OCc3ccccc3 | InChi: | InChI=1S/C20H16N2O4/c23-20(16-8-4-10-18(12-16)22(24)25)21-17-9-5-11-19(13-17)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,23) | Definition date: | 2015-09-24 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | N-[3-(benzyloxy)phenyl]-3-nitrobenzamide |
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![6CO 6CO](https://data.pdbj.org/pdbjplus/data/cc/svg/6CO.svg) | 6CO | Name: | [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](phenyl)iron | Formula: | C40 H37 Fe N4 O4 | SMILES: | c1ccc(cc1)[Fe]357N2C=8C(CCC(O)=O)=C(C2=CC4=N3C(C(=C4C=C)C)=Cc6n5c(c(c6C=C)C)C=C9N7=C(C=8)C(CCC(O)=O)=C9C)C | InChi: | InChI=1S/C34H34N4O4.C6H5.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Definition date: | 2016-03-14 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](phenyl)iron |
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![6CQ 6CQ](https://data.pdbj.org/pdbjplus/data/cc/svg/6CQ.svg) | 6CQ | Name: | [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron | Formula: | C41 H39 Fe N4 O4 | SMILES: | c9([Fe]426N1=C7C(CCC(=O)O)=C(C1=Cc3n2c(c(c3C=C)C)C=C5N4=C(C(=C5[C@H]=C)C)C=C8N6C(=C7)C(=C8C)CCC(O)=O)C)cc(C)ccc9 | InChi: | InChI=1S/C34H34N4O4.C7H7.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Definition date: | 2016-03-14 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron |
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![59N 59N](https://data.pdbj.org/pdbjplus/data/cc/svg/59N.svg) | 59N | Name: | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one | Formula: | C27 H30 Cl N7 O | SMILES: | N(c4nc3N(C(=O)C(c1ccc(cc1Cl)c2nc(cnc2)C)=Cc3cn4)CC5CCC(N)CC5)CC | InChi: | InChI=1S/C27H30ClN7O/c1-3-31-27-32-13-19-10-22(21-9-6-18(11-23(21)28)24-14-30-12-16(2)33-24)26(36)35(25(19)34-27)15-17-4-7-20(29)8-5-17/h6,9-14,17,20H,3-5,7-8,15,29H2,1-2H3,(H,31,32,34)/t17-,20- | Definition date: | 2015-08-27 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one |
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![5KW 5KW](https://data.pdbj.org/pdbjplus/data/cc/svg/5KW.svg) | 5KW | Name: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide | Formula: | C23 H24 Cl2 N6 O2 | SMILES: | CN1CCN(CC1)c2ccc(cc2)Nc4ncc(Cl)c(Oc3ccccc3NC(CCl)=O)n4 | InChi: | InChI=1S/C23H24Cl2N6O2/c1-30-10-12-31(13-11-30)17-8-6-16(7-9-17)27-23-26-15-18(25)22(29-23)33-20-5-3-2-4-19(20)28-21(32)14-24/h2-9,15H,10-14H2,1H3,(H,28,32)(H,26,27,29) | Definition date: | 2015-10-15 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide |
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![6U5 6U5](https://data.pdbj.org/pdbjplus/data/cc/svg/6U5.svg) | 6U5 | Name: | ~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide | Formula: | C12 H17 N3 O2 S | SMILES: | CCCC[S](=O)(=O)Nc1ccc2cnn(C)c2c1 | InChi: | InChI=1S/C12H17N3O2S/c1-3-4-7-18(16,17)14-11-6-5-10-9-13-15(2)12(10)8-11/h5-6,8-9,14H,3-4,7H2,1-2H3 | Definition date: | 2016-06-24 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | ~{N}-(1-methylindazol-6-yl)butane-1-sulfonamide |
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![6XR 6XR](https://data.pdbj.org/pdbjplus/data/cc/svg/6XR.svg) | 6XR | Name: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid | Formula: | C13 H10 N2 O3 S2 | SMILES: | OC(=O)[CH]1CSC(=N1)c2csc(n2)c3ccccc3O | InChi: | InChI=1S/C13H10N2O3S2/c16-10-4-2-1-3-7(10)11-14-8(5-19-11)12-15-9(6-20-12)13(17)18/h1-5,9,16H,6H2,(H,17,18)/t9-/m0/s1 | Definition date: | 2016-07-19 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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![6Y4 6Y4](https://data.pdbj.org/pdbjplus/data/cc/svg/6Y4.svg) | 6Y4 | Name: | [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol | Formula: | C21 H22 F3 N5 O3 S | SMILES: | CC(C)[CH]1N(Cc2cn(nc12)c3cccc(c3)[S](C)(=O)=O)c4ncc(CO)c(n4)C(F)(F)F | InChi: | InChI=1S/C21H22F3N5O3S/c1-12(2)18-17-14(10-29(27-17)15-5-4-6-16(7-15)33(3,31)32)9-28(18)20-25-8-13(11-30)19(26-20)21(22,23)24/h4-8,10,12,18,30H,9,11H2,1-3H3/t18-/m1/s1 | Definition date: | 2016-07-21 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol |
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![6Y8 6Y8](https://data.pdbj.org/pdbjplus/data/cc/svg/6Y8.svg) | 6Y8 | Name: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole | Formula: | C20 H22 F N5 O3 S | SMILES: | COc1ncc(F)c(n1)N2Cc3cn(nc3[CH]2C(C)C)c4cccc(c4)[S](C)(=O)=O | InChi: | InChI=1S/C20H22FN5O3S/c1-12(2)18-17-13(10-25(18)19-16(21)9-22-20(23-19)29-3)11-26(24-17)14-6-5-7-15(8-14)30(4,27)28/h5-9,11-12,18H,10H2,1-4H3/t18-/m1/s1 | Definition date: | 2016-07-22 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole |
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![71P 71P](https://data.pdbj.org/pdbjplus/data/cc/svg/71P.svg) | 71P | Name: | ~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide | Formula: | C22 H25 N O5 S | SMILES: | COc1cc2CC[CH](NC(C)=O)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC | InChi: | InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1 | Definition date: | 2016-08-12 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | ~{N}-[(7~{R})-1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5~{H}-benzo[a]heptalen-7-yl]ethanamide |
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![75H 75H](https://data.pdbj.org/pdbjplus/data/cc/svg/75H.svg) | 75H | Name: | N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | Formula: | C31 H29 F N4 O5 | SMILES: | COc1cc2c(cc1)c(ccn2)Oc3c(F)cc(cc3)NC(=O)C=4C(=O)N(N(C=4C)CC(C)(C)O)c5ccccc5 | InChi: | InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(21-8-6-5-7-9-21)35(19)18-31(2,3)39)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(40-4)11-12-23(25)26/h5-17,39H,18H2,1-4H3,(H,34,37) | Definition date: | 2016-08-29 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide |
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![767 767](https://data.pdbj.org/pdbjplus/data/cc/svg/767.svg) | 767 | Name: | N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine | Formula: | C17 H27 N5 O2 | SMILES: | COc1cc2nc(NCCCN(C)C)nc(N(C)C)c2cc1OC | InChi: | InChI=1S/C17H27N5O2/c1-21(2)9-7-8-18-17-19-13-11-15(24-6)14(23-5)10-12(13)16(20-17)22(3)4/h10-11H,7-9H2,1-6H3,(H,18,19,20) | Definition date: | 2016-06-17 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4,~{N}4-dimethyl-quinazoline-2,4-diamine |
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![6F5 6F5](https://data.pdbj.org/pdbjplus/data/cc/svg/6F5.svg) | 6F5 | Name: | 6-methylheptanoic acid | Formula: | C8 H16 O2 | SMILES: | CC(C)CCCCC(O)=O | InChi: | InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10) | Definition date: | 2016-04-13 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | 6-methylheptanoic acid |
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![6FH 6FH](https://data.pdbj.org/pdbjplus/data/cc/svg/6FH.svg) | 6FH | Name: | (6~{S})-6-methyloctanoic acid | Formula: | C9 H18 O2 | SMILES: | CC[CH](C)CCCCC(O)=O | InChi: | InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1 | Definition date: | 2016-04-13 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (6~{S})-6-methyloctanoic acid |
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![6KK 6KK](https://data.pdbj.org/pdbjplus/data/cc/svg/6KK.svg) | 6KK | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate | Formula: | C32 H48 N2 O8 S | SMILES: | c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2COC3OCCC23)=O)CC64CC5CC(C4)CC(C5)C6)CC(C)C)=O)OC | InChi: | InChI=1S/C32H48N2O8S/c1-20(2)17-34(43(37,38)25-6-4-24(39-3)5-7-25)18-28(35)27(16-32-13-21-10-22(14-32)12-23(11-21)15-32)33-31(36)42-29-19-41-30-26(29)8-9-40-30/h4-7,20-23,26-30,35H,8-19H2,1-3H3,(H,33,36)/t21-,22+,23-,26-,27-,28+,29-,30+,32-/m0/s1 | Definition date: | 2016-04-22 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate |
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