 | | 48H | | Name: | 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid | | Formula: | C17 H24 N6 O14 P2 | | SMILES: | O=C(O)C/N=C(/C(=O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C | | InChi: | InChI=1S/C17H24N6O14P2/c1-7(19-2-10(25)26)12(27)8(24)3-34-38(30,31)37-39(32,33)35-4-9-13(28)14(29)17(36-9)23-6-22-11-15(18)20-5-21-16(11)23/h5-6,8-9,13-14,17,24,28-29H,2-4H2,1H3,(H,25,26)(H,30,31)(H,32,33)(H2,18,20,21)/b19-7+/t8-,9-,13-,14-,17-/m1/s1 | | Definition date: | 2015-02-12 | | Last modified: | 2016-03-04 | | Release date: | 2016-03-09 | | Identifier: | (3R,5R,8R,10E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3,5,8-trihydroxy-10-methyl-9-oxo-2,4,6-trioxa-11-aza-3,5-diphosphatridec-10-en-13-oic acid 3,5-dioxide (non-preferred name) |
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 | | 5ON | | Name: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid | | Formula: | C18 H16 O5 | | SMILES: | OC(=O)Cc1cccc(COc2cccc(C=CC(O)=O)c2)c1 | | InChi: | InChI=1S/C18H16O5/c19-17(20)8-7-13-3-2-6-16(10-13)23-12-15-5-1-4-14(9-15)11-18(21)22/h1-10H,11-12H2,(H,19,20)(H,21,22)/b8-7+ | | Definition date: | 2015-10-30 | | Last modified: | 2016-03-04 | | Release date: | 2016-03-09 | | Identifier: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid |
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 | | 60R | | Name: | 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one | | Formula: | C23 H16 F N O3 | | SMILES: | Fc1ccc2c(OCc3ccccc3C2=Cc4ccc5OCC(=O)Nc5c4)c1 | | InChi: | InChI=1S/C23H16FNO3/c24-16-6-7-18-19(17-4-2-1-3-15(17)12-27-22(18)11-16)9-14-5-8-21-20(10-14)25-23(26)13-28-21/h1-11H,12-13H2,(H,25,26)/b19-9+ | | Definition date: | 2016-01-12 | | Last modified: | 2016-03-04 | | Release date: | 2016-03-09 | | Identifier: | 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one |
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 | | NS8 | | Name: | trans beta nitrostyrene | | Formula: | C8 H7 N O2 | | SMILES: | [O-][N+]([C@H]=Cc1ccccc1)=O | | InChi: | InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+ | | Definition date: | 2015-07-16 | | Last modified: | 2016-03-04 | | Release date: | 2016-03-09 | | Identifier: | [(E)-2-nitroethenyl]benzene |
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 | | 5O6 | | Name: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid | | Formula: | C11 H12 O3 | | SMILES: | COc1ccc(cc1)C(C)=CC(O)=O | | InChi: | InChI=1S/C11H12O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)/b8-7+ | | Definition date: | 2015-10-29 | | Last modified: | 2016-02-26 | | Release date: | 2016-03-02 | | Identifier: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid |
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 | | 5OO | | Name: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid | | Formula: | C9 H6 Cl2 O2 | | SMILES: | OC(=O)C=Cc1ccc(Cl)cc1Cl | | InChi: | InChI=1S/C9H6Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+ | | Definition date: | 2015-10-30 | | Last modified: | 2016-02-26 | | Release date: | 2016-03-02 | | Identifier: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid |
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 | | 6ZX | | Name: | (E)-3-(4-chlorophenyl)but-2-enoic acid | | Formula: | C10 H9 Cl O2 | | SMILES: | CC(=CC(O)=O)c1ccc(Cl)cc1 | | InChi: | InChI=1S/C10H9ClO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)/b7-6+ | | Definition date: | 2015-10-28 | | Last modified: | 2016-02-26 | | Release date: | 2016-03-02 | | Identifier: | (E)-3-(4-chlorophenyl)but-2-enoic acid |
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 | | 7F1 | | Name: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide | | Formula: | C36 H46 N6 O6 S | | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)CN3CCOCC3)C(=O)N[CH](Cc4c[nH]c5ccccc45)C=C[S](C)(=O)=O | | InChi: | InChI=1S/C36H46N6O6S/c1-24(2)18-32(35(44)39-27(12-17-49(3,46)47)19-25-21-37-30-10-6-4-8-28(25)30)41-36(45)33(40-34(43)23-42-13-15-48-16-14-42)20-26-22-38-31-11-7-5-9-29(26)31/h4-12,17,21-22,24,27,32-33,37-38H,13-16,18-20,23H2,1-3H3,(H,39,44)(H,40,43)(H,41,45)/t27-,32+,33+/m1/s1 | | Definition date: | 2015-11-04 | | Last modified: | 2016-02-26 | | Release date: | 2016-03-02 | | Identifier: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide |
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 | | RNE | | Name: | (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine | | Formula: | C20 H31 N | | SMILES: | CC(=CCN)C=CC=C(C)C=CC1=C(C)CCCC1(C)C | | InChi: | InChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13H,7,10,14-15,21H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ | | Definition date: | 2016-01-05 | | Last modified: | 2016-02-26 | | Release date: | 2016-03-02 | | Identifier: | (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine |
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 | | SKT | | Name: | (3~{R},4~{R},5~{R})-5-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid | | Formula: | C16 H16 O7 | | SMILES: | O[CH]1C=C(C[CH](OC(=O)C=Cc2ccc(O)cc2)[CH]1O)C(O)=O | | InChi: | InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/b6-3+/t12-,13-,15-/m1/s1 | | Definition date: | 2015-12-14 | | Last modified: | 2016-02-19 | | Release date: | 2016-02-24 | | Identifier: | (3~{R},4~{R},5~{R})-5-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid |
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 | | AZW | | Name: | 4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate | | Formula: | C14 H15 N2 O5 P | | SMILES: | P(O)(OCc1ccc(cc1)N=Nc2ccc(cc2)CO)(O)=O | | InChi: | InChI=1S/C14H15N2O5P/c17-9-11-1-5-13(6-2-11)15-16-14-7-3-12(4-8-14)10-21-22(18,19)20/h1-8,17H,9-10H2,(H2,18,19,20)/b16-15+ | | Definition date: | 2015-12-04 | | Last modified: | 2016-02-12 | | Release date: | 2016-02-17 | | Identifier: | 4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate |
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 | | VQI | | Name: | (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid | | Formula: | C23 H27 N O3 | | SMILES: | CC(C)CN1CCc2cc(O)c(C)cc2[CH]1c3ccc(C=CC(O)=O)cc3 | | InChi: | InChI=1S/C23H27NO3/c1-15(2)14-24-11-10-19-13-21(25)16(3)12-20(19)23(24)18-7-4-17(5-8-18)6-9-22(26)27/h4-9,12-13,15,23,25H,10-11,14H2,1-3H3,(H,26,27)/b9-6+/t23-/m1/s1 | | Definition date: | 2015-12-14 | | Last modified: | 2016-02-05 | | Release date: | 2016-02-10 | | Identifier: | (E)-3-[4-[(1R)-7-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid |
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 | | GQD | | Name: | (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid | | Formula: | C23 H27 N O3 | | SMILES: | CC(C)CN1[CH](C)Cc2cc(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3 | | InChi: | InChI=1S/C23H27NO3/c1-15(2)14-24-16(3)12-19-13-20(25)9-10-21(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,13,15-16,23,25H,12,14H2,1-3H3,(H,26,27)/b11-6+/t16-,23-/m1/s1 | | Definition date: | 2015-12-14 | | Last modified: | 2016-02-05 | | Release date: | 2016-02-10 | | Identifier: | (E)-3-[4-[(1R,3R)-3-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid |
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 | | J0W | | Name: | (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID | | Formula: | C23 H27 N O3 | | SMILES: | CC(C)CN1CCc2cc(O)ccc2[C]1(C)c3ccc(C=CC(O)=O)cc3 | | InChi: | InChI=1S/C23H27NO3/c1-16(2)15-24-13-12-18-14-20(25)9-10-21(18)23(24,3)19-7-4-17(5-8-19)6-11-22(26)27/h4-11,14,16,25H,12-13,15H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1 | | Definition date: | 2015-12-14 | | Last modified: | 2016-02-05 | | Release date: | 2016-02-10 | | Identifier: | (E)-3-[4-[(1R)-1-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid |
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 | | 1UC | | Name: | (2E)-2-amino-3-[(1E)-3-oxoprop-1-en-1-yl]but-2-enedioic acid | | Formula: | C7 H7 N O5 | | SMILES: | O=C(O)C(=C(/C=CC=O)C(=O)O)/N | | InChi: | InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1+,5-4+ | | Definition date: | 2013-06-05 | | Last modified: | 2016-02-05 | | Release date: | 2016-02-10 | | Identifier: | (2E)-2-amino-3-[(1E)-3-oxoprop-1-en-1-yl]but-2-enedioic acid |
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 | | 7QN | | Name: | (E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid | | Formula: | C23 H27 N O3 | | SMILES: | CC(C)CN1CCc2c(C)c(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3 | | InChi: | InChI=1S/C23H27NO3/c1-15(2)14-24-13-12-19-16(3)21(25)10-9-20(19)23(24)18-7-4-17(5-8-18)6-11-22(26)27/h4-11,15,23,25H,12-14H2,1-3H3,(H,26,27)/b11-6+/t23-/m1/s1 | | Definition date: | 2015-12-14 | | Last modified: | 2016-02-05 | | Release date: | 2016-02-10 | | Identifier: | (E)-3-[4-[(1R)-5-methyl-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid |
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 | | QHG | | Name: | (E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID | | Formula: | C22 H25 N O3 | | SMILES: | CC(C)CN1CCc2cc(O)ccc2[CH]1c3ccc(C=CC(O)=O)cc3 | | InChi: | InChI=1S/C22H25NO3/c1-15(2)14-23-12-11-18-13-19(24)8-9-20(18)22(23)17-6-3-16(4-7-17)5-10-21(25)26/h3-10,13,15,22,24H,11-12,14H2,1-2H3,(H,25,26)/b10-5+/t22-/m1/s1 | | Definition date: | 2015-12-14 | | Last modified: | 2016-02-05 | | Release date: | 2016-02-10 | | Identifier: | (E)-3-[4-[(1R)-2-(2-methylpropyl)-6-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid |
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 | | IPJ | | Name: | 4-hydroxy-chalcone | | Formula: | C15 H12 O2 | | SMILES: | Oc1ccc(cc1)C=CC(=O)c2ccccc2 | | InChi: | InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+ | | Definition date: | 2015-11-27 | | Last modified: | 2016-01-22 | | Release date: | 2016-01-27 | | Identifier: | (~{E})-3-(4-hydroxyphenyl)-1-phenyl-prop-2-en-1-one |
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 | | Y80 | | Name: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C24 H20 N2 O3 | | SMILES: | O=C1CN(c2c(N1)cccc2)C(=O)C(c3ccccc3)=[C@H]c4ccc(cc4)OC | | InChi: | InChI=1S/C24H20N2O3/c1-29-19-13-11-17(12-14-19)15-20(18-7-3-2-4-8-18)24(28)26-16-23(27)25-21-9-5-6-10-22(21)26/h2-15H,16H2,1H3,(H,25,27)/b20-15+ | | Definition date: | 2015-03-10 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one |
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 | | 4O5 | | Name: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide | | Formula: | C18 H15 Cl F N3 O4 S2 | | SMILES: | CNC(c3ccc(N2C=CC(NS(C=Cc1ccc(Cl)s1)(=O)=O)C2=O)c(F)c3)=O | | InChi: | InChI=1S/C18H15ClFN3O4S2/c1-21-17(24)11-2-4-15(13(20)10-11)23-8-6-14(18(23)25)22-29(26,27)9-7-12-3-5-16(19)28-12/h2-10,14,22H,1H3,(H,21,24)/b9-7+/t14-/m0/s1 | | Definition date: | 2015-04-26 | | Last modified: | 2016-01-08 | | Release date: | 2016-01-13 | | Identifier: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide |
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 | | KE9 | | Name: | (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID | | Formula: | C25 H25 F3 N2 O2 | | SMILES: | C[CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F | | InChi: | InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1 | | Definition date: | 2015-08-15 | | Last modified: | 2015-12-11 | | Release date: | 2015-12-16 | | Identifier: | (E)-3-[3,5-bis(fluoranyl)-4-[(1R,3R)-2-(2-fluoranyl-2-methyl-propyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid |
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 | | 3IH | | Name: | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Formula: | C35 H48 N6 O8 | | SMILES: | n1c(cc(o1)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C=CC(=O)OCc2ccccc2)CC3CCNC3=O | | InChi: | InChI=1S/C35H48N6O8/c1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24/h7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43)/b13-12+/t23-,25-,26+,27-,30-/m0/s1 | | Synonyms: | (E)-(4S,6S)-8-METHYL-6-((S)-3-METHYL-2-{(S)-2-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID BENZYL ESTER | | Definition date: | 2005-08-22 | | Last modified: | 2015-12-07 | | Identifier: | N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide |
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 | | 42V | | Name: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one | | Formula: | C10 H9 N3 O2 S | | SMILES: | S=C2NC(=CC=1C=CC(=O)NC=1)C(=O)N2C | | InChi: | InChI=1S/C10H9N3O2S/c1-13-9(15)7(12-10(13)16)4-6-2-3-8(14)11-5-6/h2-5H,1H3,(H,11,14)(H,12,16)/b7-4+ | | Definition date: | 2015-01-27 | | Last modified: | 2015-12-04 | | Release date: | 2015-12-09 | | Identifier: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one |
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 | | 5JM | | Name: | 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid | | Formula: | C26 H21 Cl N6 O4 | | SMILES: | N(c1ccc(C(O)=O)cc1)C(C(NC([C@H]=[C@H]c2cc(Cl)ccc2n3nnnc3)=O)Cc4ccccc4)=O | | InChi: | InChI=1S/C26H21ClN6O4/c27-20-9-12-23(33-16-28-31-32-33)19(15-20)8-13-24(34)30-22(14-17-4-2-1-3-5-17)25(35)29-21-10-6-18(7-11-21)26(36)37/h1-13,15-16,22H,14H2,(H,29,35)(H,30,34)(H,36,37)/b13-8+/t22-/m0/s1 | | Definition date: | 2015-10-02 | | Last modified: | 2015-12-04 | | Release date: | 2015-12-09 | | Identifier: | 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid |
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 | | E22 | | Name: | (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide | | Formula: | C27 H30 N4 O4 | | SMILES: | O[CH](C#N)[CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)C=Cc3ccccc3 | | InChi: | InChI=1S/C27H30N4O4/c28-18-24(32)22(17-21-12-7-15-29-26(21)34)31-27(35)23(16-20-10-5-2-6-11-20)30-25(33)14-13-19-8-3-1-4-9-19/h1-6,8-11,13-14,21-24,32H,7,12,15-17H2,(H,29,34)(H,30,33)(H,31,35)/b14-13+/t21-,22-,23-,24-/m0/s1 | | Definition date: | 2015-06-03 | | Last modified: | 2015-11-20 | | Release date: | 2015-11-25 | | Identifier: | (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide |
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