![2K9 2K9](https://data.pdbj.org/pdbjplus/data/cc/svg/2K9.svg) | 2K9 | Name: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one | Formula: | C19 H11 N3 O | SMILES: | O=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45 | InChi: | InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H | Definition date: | 2013-11-14 | Last modified: | 2015-03-20 | Release date: | 2015-03-25 | Identifier: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one |
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![HXJ HXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HXJ.svg) | HXJ | Name: | 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium | Formula: | C21 H44 N2 O6 P | SMILES: | O=P(OCC(NC(=O)CCCCC)C(O)/C=C/CCCCC)(OCC[N+](C)(C)C)O | InChi: | InChI=1S/C21H43N2O6P/c1-6-8-10-11-13-14-20(24)19(22-21(25)15-12-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h13-14,19-20,24H,6-12,15-18H2,1-5H3,(H-,22,25,26,27)/p+1/b14-13+/t19-,20+/m0/s1 | Definition date: | 2014-07-11 | Last modified: | 2015-02-27 | Release date: | 2015-03-04 | Identifier: | (4S,7S)-4-hydroxy-7-[(1R,2E)-1-hydroxyoct-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphatetradecan-1-aminium 4-oxide |
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![3YU 3YU](https://data.pdbj.org/pdbjplus/data/cc/svg/3YU.svg) | 3YU | Name: | (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide | Formula: | C28 H23 Cl N10 O | SMILES: | Clc2cc(c(n1nnnc1)cc2)C=CC(=O)NC(c5nc(c3ccc4c(c3)nnc4N)cn5)Cc6ccccc6 | InChi: | InChI=1S/C28H23ClN10O/c29-20-8-10-25(39-16-32-37-38-39)19(13-20)7-11-26(40)33-23(12-17-4-2-1-3-5-17)28-31-15-24(34-28)18-6-9-21-22(14-18)35-36-27(21)30/h1-11,13-16,23H,12H2,(H,31,34)(H,33,40)(H3,30,35,36)/b11-7+/t23-/m0/s1 | Definition date: | 2014-12-10 | Last modified: | 2015-02-13 | Release date: | 2015-02-18 | Identifier: | (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide |
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![QNZ QNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/QNZ.svg) | QNZ | Name: | (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid | Formula: | C24 H15 N3 O3 | SMILES: | O=C(O)c1cc(ccc1)N3C(=Nc2c(cccc2)C3=O)C=Cc4ccc(C#N)cc4 | InChi: | InChI=1S/C24H15N3O3/c25-15-17-10-8-16(9-11-17)12-13-22-26-21-7-2-1-6-20(21)23(28)27(22)19-5-3-4-18(14-19)24(29)30/h1-14H,(H,29,30)/b13-12+ | Definition date: | 2013-12-21 | Last modified: | 2015-02-06 | Release date: | 2015-02-11 | Identifier: | 3-{2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid |
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![OTM OTM](https://data.pdbj.org/pdbjplus/data/cc/svg/OTM.svg) | OTM | Name: | (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide | Formula: | C26 H21 Cl N10 O2 | SMILES: | Clc2cc(c(n1nnnc1)cc2)C=CC(=O)NC(C(=O)Nc4ccc(c3nnnn3)cc4)Cc5ccccc5 | InChi: | InChI=1S/C26H21ClN10O2/c27-20-9-12-23(37-16-28-33-36-37)19(15-20)8-13-24(38)30-22(14-17-4-2-1-3-5-17)26(39)29-21-10-6-18(7-11-21)25-31-34-35-32-25/h1-13,15-16,22H,14H2,(H,29,39)(H,30,38)(H,31,32,34,35)/b13-8+/t22-/m0/s1 | Definition date: | 2014-02-26 | Last modified: | 2015-02-06 | Release date: | 2015-02-11 | Identifier: | Nalpha-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-N-[4-(1H-tetrazol-5-yl)phenyl]-L-phenylalaninamide |
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![E29 E29](https://data.pdbj.org/pdbjplus/data/cc/svg/E29.svg) | E29 | Name: | (2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoic acid | Formula: | C10 H7 Cl N4 O2 | SMILES: | O=C(O)C=Cc1cc(Cl)ccc1n2nnnc2 | InChi: | InChI=1S/C10H7ClN4O2/c11-8-2-3-9(15-6-12-13-14-15)7(5-8)1-4-10(16)17/h1-6H,(H,16,17)/b4-1+ | Definition date: | 2014-02-26 | Last modified: | 2015-02-06 | Release date: | 2015-02-11 | Identifier: | (2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoic acid |
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![ECP ECP](https://data.pdbj.org/pdbjplus/data/cc/svg/ECP.svg) | ECP | Name: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate | Formula: | C20 H36 O7 P2 | SMILES: | O=P(O)(O)OP(=O)(O)OC/C=C(C)CCC1C(=C)CCC2C(CCCC12C)(C)C | InChi: | InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m1/s1 | Definition date: | 2013-06-06 | Last modified: | 2015-01-30 | Release date: | 2015-02-04 | Identifier: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate |
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![AOB AOB](https://data.pdbj.org/pdbjplus/data/cc/svg/AOB.svg) | AOB | Name: | (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C15 H11 N5 O | SMILES: | N#Cc1c(nc2N=C(N)NC(=O)c12)C=Cc3ccccc3 | InChi: | InChI=1S/C15H11N5O/c16-8-10-11(7-6-9-4-2-1-3-5-9)18-13-12(10)14(21)20-15(17)19-13/h1-7H,(H4,17,18,19,20,21)/b7-6+ | Definition date: | 2014-01-15 | Last modified: | 2015-01-16 | Release date: | 2015-01-21 | Identifier: | 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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![IZ9 IZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/IZ9.svg) | IZ9 | Name: | (E)-2,4-diamino-6-(4-methylstyryl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | Formula: | C16 H14 N6 | SMILES: | N#Cc2c1c(nc(nc1nc2C=Cc3ccc(cc3)C)N)N | InChi: | InChI=1S/C16H14N6/c1-9-2-4-10(5-3-9)6-7-12-11(8-17)13-14(18)21-16(19)22-15(13)20-12/h2-7H,1H3,(H5,18,19,20,21,22)/b7-6+ | Definition date: | 2014-01-15 | Last modified: | 2015-01-16 | Release date: | 2015-01-21 | Identifier: | 2,4-diamino-6-[(E)-2-(4-methylphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
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![MMK MMK](https://data.pdbj.org/pdbjplus/data/cc/svg/MMK.svg) | MMK | Name: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid | Formula: | C15 H22 N4 O3 | SMILES: | O=C(O)c1ccnc(c1)CNCC(=O)N(C=CN(C)C)CC | InChi: | InChI=1S/C15H22N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-9,16H,4,10-11H2,1-3H3,(H,21,22)/b8-7+ | Definition date: | 2014-12-22 | Last modified: | 2015-01-09 | Release date: | 2015-01-14 | Identifier: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid |
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![3L3 3L3](https://data.pdbj.org/pdbjplus/data/cc/svg/3L3.svg) | 3L3 | Name: | [(E)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid | Formula: | C13 H19 Br N6 O8 P2 | SMILES: | O=P(O)(O)/C=C/N(CCO/C=C/P(=O)(O)O)CCn1c2N=C(NC(=O)c2nc1Br)N | InChi: | InChI=1S/C13H19BrN6O8P2/c14-12-16-9-10(17-13(15)18-11(9)21)20(12)2-1-19(4-7-29(22,23)24)3-5-28-6-8-30(25,26)27/h4,6-8H,1-3,5H2,(H2,22,23,24)(H2,25,26,27)(H3,15,17,18,21)/b7-4+,8-6+ | Definition date: | 2014-09-11 | Last modified: | 2015-01-02 | Release date: | 2015-01-07 | Identifier: | [(E)-2-(2-{[2-(2-amino-8-bromo-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)ethenyl]phosphonic acid |
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![3L4 3L4](https://data.pdbj.org/pdbjplus/data/cc/svg/3L4.svg) | 3L4 | Name: | [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid | Formula: | C12 H20 N6 O8 P2 | SMILES: | O=P(O)(O)/C=C/N(CCOCP(=O)(O)O)CCn1c2N=C(NC(=O)c2nc1)N | InChi: | InChI=1S/C12H20N6O8P2/c13-12-15-10-9(11(19)16-12)14-7-18(10)2-1-17(4-6-27(20,21)22)3-5-26-8-28(23,24)25/h4,6-7H,1-3,5,8H2,(H2,20,21,22)(H2,23,24,25)(H3,13,15,16,19)/b6-4+ | Definition date: | 2014-09-11 | Last modified: | 2015-01-02 | Release date: | 2015-01-07 | Identifier: | [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid |
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![3L7 3L7](https://data.pdbj.org/pdbjplus/data/cc/svg/3L7.svg) | 3L7 | Name: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid | Formula: | C13 H21 N5 O8 P2 | SMILES: | O=P(O)(O)/C=C/OCCN(CCP(=O)(O)O)CCn1c2N=CNC(=O)c2nc1 | InChi: | InChI=1S/C13H21N5O8P2/c19-13-11-12(14-9-15-13)18(10-16-11)2-1-17(4-7-27(20,21)22)3-5-26-6-8-28(23,24)25/h6,8-10H,1-5,7H2,(H,14,15,19)(H2,20,21,22)(H2,23,24,25)/b8-6+ | Definition date: | 2014-09-11 | Last modified: | 2015-01-02 | Release date: | 2015-01-07 | Identifier: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid |
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![I13 I13](https://data.pdbj.org/pdbjplus/data/cc/svg/I13.svg) | I13 | Name: | 1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea | Formula: | C20 H24 Cl N5 O4 | SMILES: | O=[N+]([O-])c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NOCCN)C)c2)(C)C | InChi: | InChI=1S/C20H24ClN5O4/c1-13(25-30-10-9-22)14-5-4-6-15(11-14)20(2,3)24-19(27)23-16-7-8-17(21)18(12-16)26(28)29/h4-8,11-12H,9-10,22H2,1-3H3,(H2,23,24,27)/b25-13+ | Definition date: | 2014-11-26 | Last modified: | 2014-12-26 | Release date: | 2014-12-31 | Identifier: | 1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea |
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![Y1N Y1N](https://data.pdbj.org/pdbjplus/data/cc/svg/Y1N.svg) | Y1N | Name: | 2-methyl-2-[4-[2-[4-[(E)-phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic acid | Formula: | C24 H24 N2 O4 | SMILES: | O=C(O)C(Oc1ccc(cc1)CCOc3ccc(/N=N/c2ccccc2)cc3)(C)C | InChi: | InChI=1S/C24H24N2O4/c1-24(2,23(27)28)30-22-12-8-18(9-13-22)16-17-29-21-14-10-20(11-15-21)26-25-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,27,28)/b26-25+ | Definition date: | 2013-12-05 | Last modified: | 2014-12-19 | Release date: | 2014-12-24 | Identifier: | 2-methyl-2-[4-(2-{4-[(E)-phenyldiazenyl]phenoxy}ethyl)phenoxy]propanoic acid |
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![3X1 3X1](https://data.pdbj.org/pdbjplus/data/cc/svg/3X1.svg) | 3X1 | Name: | (2E)-dodec-2-enoic acid | Formula: | C12 H22 O2 | SMILES: | O=C(O)/C=C/CCCCCCCCC | InChi: | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+ | Definition date: | 2014-12-02 | Last modified: | 2014-12-19 | Release date: | 2014-12-24 | Identifier: | (2E)-dodec-2-enoic acid |
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![E91 E91](https://data.pdbj.org/pdbjplus/data/cc/svg/E91.svg) | E91 | Name: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid | Formula: | C21 H14 N2 O2 | SMILES: | O=C(O)c1ccc(cc1)C=NN=C4/c2ccccc2c3c4cccc3 | InChi: | InChI=1S/C21H14N2O2/c24-21(25)15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H,24,25)/b22-13+ | Definition date: | 2014-10-20 | Last modified: | 2014-12-12 | Release date: | 2014-12-17 | Identifier: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid |
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![1W9 1W9](https://data.pdbj.org/pdbjplus/data/cc/svg/1W9.svg) | 1W9 | Name: | (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid | Formula: | C11 H15 N2 O8 P | SMILES: | O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CO | InChi: | InChI=1S/C11H15N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,9,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/b13-3+/t9-/m1/s1 | Definition date: | 2014-02-24 | Last modified: | 2014-12-05 | Release date: | 2014-12-10 | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-serine |
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![T0T T0T](https://data.pdbj.org/pdbjplus/data/cc/svg/T0T.svg) | T0T | Name: | (1R)-1-{4-[(E)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-O-phosphonato-D-erythro-pentitol | Formula: | C19 H22 N O6 P | SMILES: | O=P(O)(OCC3OC(c2ccc(C=Cc1ccccc1N)cc2)CC3O)O | InChi: | InChI=1S/C19H22NO6P/c20-16-4-2-1-3-14(16)8-5-13-6-9-15(10-7-13)18-11-17(21)19(26-18)12-25-27(22,23)24/h1-10,17-19,21H,11-12,20H2,(H2,22,23,24)/b8-5+/t17-,18+,19+/m0/s1 | Definition date: | 2014-06-24 | Last modified: | 2014-11-28 | Release date: | 2014-12-03 | Identifier: | (1R)-1-{4-[(E)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol |
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![PWF PWF](https://data.pdbj.org/pdbjplus/data/cc/svg/PWF.svg) | PWF | Name: | 2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate | Formula: | C18 H18 O4 | SMILES: | O=C(OCCc1ccccc1)C=Cc2cc(OC)c(O)cc2 | InChi: | InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+ | Definition date: | 2014-03-28 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | 2-phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
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![PWH PWH](https://data.pdbj.org/pdbjplus/data/cc/svg/PWH.svg) | PWH | Name: | 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | Formula: | C14 H16 O4 | SMILES: | O=C(OCC=C(/C)C)C=Cc1cc(O)c(O)cc1 | InChi: | InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+ | Definition date: | 2014-03-28 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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![WW3 WW3](https://data.pdbj.org/pdbjplus/data/cc/svg/WW3.svg) | WW3 | Name: | 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide | Formula: | C12 H18 N4 O2 S | SMILES: | O=S(=O)(N)c2ccc(/N=N/N1CCCCCC1)cc2 | InChi: | InChI=1S/C12H18N4O2S/c13-19(17,18)12-7-5-11(6-8-12)14-15-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10H2,(H2,13,17,18)/b15-14+ | Definition date: | 2014-04-25 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide |
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![3C1 3C1](https://data.pdbj.org/pdbjplus/data/cc/svg/3C1.svg) | 3C1 | Name: | 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide | Formula: | C8 H11 N3 O2 S | SMILES: | O=S2(=O)c1cnccc1N(CN2)CC | InChi: | InChI=1S/C8H11N3O2S/c1-2-11-6-10-14(12,13)8-5-9-4-3-7(8)11/h3-5,10H,2,6H2,1H3 | Definition date: | 2014-07-25 | Last modified: | 2014-11-14 | Release date: | 2014-11-19 | Identifier: | 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide |
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![3C2 3C2](https://data.pdbj.org/pdbjplus/data/cc/svg/3C2.svg) | 3C2 | Name: | 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide | Formula: | C8 H11 N3 O2 S | SMILES: | O=S2(=O)c1ncccc1N(CN2)CC | InChi: | InChI=1S/C8H11N3O2S/c1-2-11-6-10-14(12,13)8-7(11)4-3-5-9-8/h3-5,10H,2,6H2,1H3 | Definition date: | 2014-07-25 | Last modified: | 2014-11-14 | Release date: | 2014-11-19 | Identifier: | 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide |
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![2VC 2VC](https://data.pdbj.org/pdbjplus/data/cc/svg/2VC.svg) | 2VC | Name: | N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide | Formula: | C27 H39 N9 O5 S | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ncccn2)CCc3ccccc3)CCCONC(=[N@H])N | InChi: | InChI=1S/C27H39N9O5S/c1-35-15-17-36(18-16-35)27(38)33-23(9-5-19-41-34-25(28)29)24(37)32-22(11-10-21-7-3-2-4-8-21)12-20-42(39,40)26-30-13-6-14-31-26/h2-4,6-8,12-14,20,22-23H,5,9-11,15-19H2,1H3,(H,32,37)(H,33,38)(H4,28,29,34)/b20-12+/t22-,23-/m0/s1 | Definition date: | 2014-05-09 | Last modified: | 2014-11-07 | Release date: | 2014-11-12 | Identifier: | N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide |
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