 | | 73F | | Name: | 1-(2-phenylethyl)indole-2,3-dione | | Formula: | C16 H13 N O2 | | SMILES: | O=C1N(CCc2ccccc2)c3ccccc3C1=O | | InChi: | InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | 1-(2-phenylethyl)indole-2,3-dione |
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 | | 73G | | Name: | butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate | | Formula: | C14 H15 N O4 | | SMILES: | CCCCOC(=O)CN1C(=O)C(=O)c2ccccc12 | | InChi: | InChI=1S/C14H15NO4/c1-2-3-8-19-12(16)9-15-11-7-5-4-6-10(11)13(17)14(15)18/h4-7H,2-3,8-9H2,1H3 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate |
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 | | 73H | | Name: | 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione | | Formula: | C16 H12 F N O2 | | SMILES: | Fc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1 | | InChi: | InChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione |
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 | | 73N | | Name: | (2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid | | Formula: | C7 H14 N4 O4 | | SMILES: | NC(=N)NCCC[CH](NC(O)=O)C(O)=O | | InChi: | InChI=1S/C7H14N4O4/c8-6(9)10-3-1-2-4(5(12)13)11-7(14)15/h4,11H,1-3H2,(H,12,13)(H,14,15)(H4,8,9,10)/t4-/m0/s1 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-21 | | Identifier: | (2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid |
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 | | 73O | | Name: | (2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid | | Formula: | C10 H13 N O3 | | SMILES: | N[CH](CCc1ccc(O)cc1)C(O)=O | | InChi: | InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-21 | | Identifier: | (2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid |
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 | | 73V | | Name: | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | | Formula: | C25 H35 N3 O6 | | SMILES: | O=C(NC(C(=O)N2C(C(=O)OCc1ccccc1)CCC2)C(C)CC)C3OC3C(=O)NCCC | | InChi: | InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1 | | Synonyms: | CA073 | | Definition date: | 2006-01-04 | | Last modified: | 2024-09-27 | | Identifier: | benzyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate |
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 | | L4C | | Name: | (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID | | Formula: | C10 H14 N2 O8 | | SMILES: | O=C(O)C(=NOCC(NC(=O)C)C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1 | | Synonyms: | LACTIVICIN | | Definition date: | 2007-01-15 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid |
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 | | L4F | | Name: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate | | Formula: | C41 H49 N7 O6 S | | SMILES: | NC(=N)Nc1ccc(cc1)C(=O)OCCN2CCN(CC2)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCc4ccccc4)CC[S](=O)(=O)c5ccccc5 | | InChi: | InChI=1S/C41H49N7O6S/c42-40(43)45-34-20-17-33(18-21-34)39(50)54-28-27-47-23-25-48(26-24-47)41(51)46-37(30-32-12-6-2-7-13-32)38(49)44-35(19-16-31-10-4-1-5-11-31)22-29-55(52,53)36-14-8-3-9-15-36/h1-15,17-18,20-21,35,37H,16,19,22-30H2,(H,44,49)(H,46,51)(H4,42,43,45)/t35-,37-/m0/s1 | | Definition date: | 2022-11-10 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-13 | | Identifier: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate |
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 | | L4R | | Name: | Fmoc-(R)-2-(7-octenyl)alanine | | Formula: | C11 H21 N O2 | | SMILES: | C[C](N)(CCCCCCC=C)C(O)=O | | InChi: | InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1 | | Definition date: | 2022-06-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-20 | | Identifier: | (2~{R})-2-azanyl-2-methyl-dec-9-enoic acid |
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 | | 74M | | Name: | METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | | Formula: | C19 H31 N3 O6 | | SMILES: | O=C(NCCC)C2OC2C(=O)NC(C(=O)N1C(C(=O)OC)CCC1)C(C)CC | | InChi: | InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1 | | Synonyms: | CA074ME | | Definition date: | 2006-01-05 | | Last modified: | 2024-09-27 | | Identifier: | methyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate |
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 | | 74P | | Name: | (E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine | | Formula: | C11 H18 N2 O5 | | SMILES: | C(C/C(=NCCCCC(N)C(O)=O)C(=O)O)(C)=O | | InChi: | InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1 | | Definition date: | 2016-08-24 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-05 | | Identifier: | (E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine |
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 | | 750 | | Name: | 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE | | Formula: | C40 H47 N5 O7 | | SMILES: | O=C3CN(C(=O)Cc2cccc(c1ncccc1)c2)CCCC3NC(=O)C(NC(=O)c6oc5c(cc(OCCN4CCOCC4)cc5)c6)CC(C)C | | InChi: | InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1 | | Definition date: | 2003-01-07 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1S)-3-methyl-1-({(4S)-3-oxo-1-[(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl}carbamoyl)butyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide |
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 | | L5P | | Name: | (2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid | | Formula: | C11 H23 N2 O9 P | | SMILES: | NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O | | InChi: | InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-5-8(14)10(16)9(15)6-22-23(19,20)21/h7,9-10,13,15-16H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,9+,10-/m0/s1 | | Definition date: | 2014-11-17 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | (2S)-2-amino-6-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}hexanoic acid (non-preferred name) |
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 | | 75C | | Name: | 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine | | Formula: | C25 H44 N9 O13 P S2 | | SMILES: | O=P(O)(O)OCC(C(C(NCCC(NCCSC(C(N)CO)CS(NCC3C(O)C(O)C(n2c1ncnc(c1nc2)N)O3)(=O)=O)=O)=O)O)(C)C | | InChi: | InChI=1S/C25H44N9O13PS2/c1-25(2,10-46-48(41,42)43)20(39)23(40)29-4-3-16(36)28-5-6-49-15(13(26)8-35)9-50(44,45)33-7-14-18(37)19(38)24(47-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,35,37-39H,3-10,26H2,1-2H3,(H,28,36)(H,29,40)(H2,27,30,31)(H2,41,42,43)/t13-,14+,15-,18+,19+,20-,24+/m0/s1 | | Definition date: | 2016-08-26 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-14 | | Identifier: | 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine |
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 | | L61 | | Name: | 2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate | | Formula: | C14 H19 N O3 | | SMILES: | O=C(OCC(C)C)NC(c1ccccc1)CC=O | | InChi: | InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1 | | Definition date: | 2013-02-11 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-22 | | Identifier: | 2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate |
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 | | L62 | | Name: | cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate | | Formula: | C15 H19 N O3 | | SMILES: | O=C(OC1CCCC1)NC(c2ccccc2)CC=O | | InChi: | InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1 | | Definition date: | 2013-02-11 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-22 | | Identifier: | cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate |
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 | | L68 | | Name: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid | | Formula: | C23 H16 F2 N4 O3 | | SMILES: | Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2 | | InChi: | InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+ | | Definition date: | 2019-07-23 | | Last modified: | 2024-09-27 | | Release date: | 2019-11-27 | | Identifier: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid |
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 | | L6B | | Name: | methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate | | Formula: | C15 H18 N2 O4 | | SMILES: | COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O | | InChi: | InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,8-9H,2-3,5-7H2,1H3,(H,16,19)(H,17,20)/b8-4+ | | Definition date: | 2019-07-23 | | Last modified: | 2024-09-27 | | Release date: | 2019-11-27 | | Identifier: | methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate |
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 | | 75V | | Name: | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE | | Formula: | C15 H24 N2 O7 | | SMILES: | O=C(NC(C(=O)NC(C(=O)O)C)C(C)CC)C1OC1C(=O)OCC | | InChi: | InChI=1S/C15H24N2O7/c1-5-7(3)9(12(18)16-8(4)14(20)21)17-13(19)10-11(24-10)15(22)23-6-2/h7-11H,5-6H2,1-4H3,(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-,10-,11-/m0/s1 | | Synonyms: | CA075 | | Definition date: | 2006-01-06 | | Last modified: | 2024-09-27 | | Identifier: | N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-alanine |
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 | | L6C | | Name: | phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate | | Formula: | C16 H15 N O3 | | SMILES: | O=C(Oc1ccccc1)NC(c2ccccc2)CC=O | | InChi: | InChI=1S/C16H15NO3/c18-12-11-15(13-7-3-1-4-8-13)17-16(19)20-14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m1/s1 | | Definition date: | 2013-02-11 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-22 | | Identifier: | phenyl [(1R)-3-oxo-1-phenylpropyl]carbamate |
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 | | L6E | | Name: | [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate | | Formula: | C17 H21 N3 O5 | | SMILES: | CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O | | InChi: | InChI=1S/C17H21N3O5/c1-18-14(21)10-25-15(22)7-4-8-19-16(23)12-9-11-5-2-3-6-13(11)20-17(12)24/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,18,21)(H,19,23)(H,20,24)/b7-4+ | | Definition date: | 2019-07-23 | | Last modified: | 2024-09-27 | | Release date: | 2019-11-27 | | Identifier: | [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
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 | | L6H | | Name: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate | | Formula: | C28 H38 N4 O7 | | SMILES: | O=C(COC(=O)C=CCNC(=O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3CCCC=CCC3 | | InChi: | InChI=1S/C28H38N4O7/c33-24(29-16-9-17-31-28(37)39-21-11-4-2-1-3-5-12-21)19-38-25(34)14-8-15-30-26(35)22-18-20-10-6-7-13-23(20)32-27(22)36/h1-2,8,14,18,21H,3-7,9-13,15-17,19H2,(H,29,33)(H,30,35)(H,31,37)(H,32,36)/b2-1?,14-8+/t21-/m1/s1 | | Definition date: | 2019-07-23 | | Last modified: | 2024-09-27 | | Release date: | 2019-11-27 | | Identifier: | [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate |
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 | | 762 | | Name: | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE | | Formula: | C20 H15 Cl N4 O | | SMILES: | [O-]c4c(c1ccccc1)cccc4c3nc2cc(c(Cl)cc2n3)C(=[NH2+])N | | InChi: | InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25) | | Synonyms: | CRA_10762 | | Definition date: | 2003-03-14 | | Last modified: | 2024-09-27 | | Identifier: | 3-{5-[amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-yl}biphenyl-2-olate |
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 | | L70 | | Name: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide | | Formula: | C19 H28 Cl2 N4 O2 S2 | | SMILES: | CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N | | InChi: | InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1 | | Definition date: | 2022-06-20 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-26 | | Identifier: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide |
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 | | L71 | | Name: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione | | Formula: | C13 H16 N2 O2 | | SMILES: | O=C2N(C(=O)CC2c1cccc(c1)CN)CC | | InChi: | InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1 | | Definition date: | 2014-07-02 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-04 | | Identifier: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione |
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