 | UZS | Name: | N-hydroxy-7-sulfanylheptanamide | Formula: | C7 H15 N O2 S | SMILES: | ONC(CCCCCCS)=O | InChi: | InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9) | Definition date: | 2020-06-09 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | N-hydroxy-7-sulfanylheptanamide |
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 | LAS | Name: | N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine | Formula: | C15 H24 N2 O7 S | SMILES: | O=C1NC(C(=O)SCC(C(=O)O)NC(=O)C)(C(O)C1C)C(O)C(C)C | InChi: | InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9?,10+,11+,15-/m1/s1 | Synonyms: | LACTACYSTIN | Definition date: | 2008-07-10 | Last modified: | 2024-09-27 | Identifier: | N-acetyl-S-({(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine |
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 | YN1 | Name: | (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C24 H43 N3 O8 S | SMILES: | CC(C)CC(NC(=O)OCC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H43N3O8S/c1-4-5-16-6-8-17(9-7-16)14-35-24(31)27-19(12-15(2)3)22(29)26-20(23(30)36(32,33)34)13-18-10-11-25-21(18)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,17-,18-,19-,20-,23-/m0/s1 | Definition date: | 2021-03-12 | Last modified: | 2024-09-27 | Release date: | 2021-03-24 | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
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 | VU1 | Name: | 4-[(piperidin-1-yl)methyl]benzoic acid | Formula: | C13 H17 N O2 | SMILES: | C2CCCN(Cc1ccc(C(O)=O)cc1)C2 | InChi: | InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16) | Definition date: | 2020-09-14 | Last modified: | 2024-09-27 | Release date: | 2021-10-06 | Identifier: | 4-[(piperidin-1-yl)methyl]benzoic acid |
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 | PS9 | Name: | octathiocane | Formula: | S8 | SMILES: | S1SSSSSSS1 | InChi: | InChI=1S/S8/c1-2-4-6-8-7-5-3-1 | Definition date: | 2009-04-17 | Last modified: | 2024-09-27 | Identifier: | octathiocane |
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 | UZV | Name: | N-hydroxy-5-sulfanylpentanamide | Formula: | C5 H11 N O2 S | SMILES: | C(CCCCS)(NO)=O | InChi: | InChI=1S/C5H11NO2S/c7-5(6-8)3-1-2-4-9/h8-9H,1-4H2,(H,6,7) | Definition date: | 2020-06-09 | Last modified: | 2024-09-27 | Release date: | 2020-09-23 | Identifier: | N-hydroxy-5-sulfanylpentanamide |
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 | 4G6 | Name: | 2-methylpropane-1,2-diamine | Formula: | C4 H12 N2 | SMILES: | CC(C)(N)CN | InChi: | InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3 | Definition date: | 2015-08-04 | Last modified: | 2024-09-27 | Release date: | 2015-10-28 | Identifier: | 2-methylpropane-1,2-diamine |
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 | YN3 | Name: | ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide | Formula: | C28 H35 N7 O3 | SMILES: | CCC(=O)Nc1ccc(cc1)C(=O)Nc2n[nH]c3c2CN(C(=O)N[CH](CN(C)C)c4ccccc4)C3(C)C | InChi: | InChI=1S/C28H35N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h7-15,22H,6,16-17H2,1-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1 | Definition date: | 2023-12-06 | Last modified: | 2024-09-27 | Release date: | 2024-05-29 | Identifier: | ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide |
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 | PSA | Name: | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | Formula: | C11 H15 N O3 | SMILES: | O=C(O)CC(O)C(N)Cc1ccccc1 | InChi: | InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid |
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 | LAV | Name: | N-[(2S)-2-amino-4-methylpentyl]-L-valine | Formula: | C11 H24 N2 O2 | SMILES: | O=C(O)C(NCC(N)CC(C)C)C(C)C | InChi: | InChI=1S/C11H24N2O2/c1-7(2)5-9(12)6-13-10(8(3)4)11(14)15/h7-10,13H,5-6,12H2,1-4H3,(H,14,15)/t9-,10-/m0/s1 | Definition date: | 2010-10-28 | Last modified: | 2024-09-27 | Identifier: | N-[(2S)-2-amino-4-methylpentyl]-L-valine |
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 | R0B | Name: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid | Formula: | C12 H19 N O5 S | SMILES: | CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1 | Synonyms: | hydrolyzed faropenem (ring-open form) | Definition date: | 2020-08-24 | Last modified: | 2024-09-27 | Release date: | 2021-02-24 | Identifier: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid |
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 | RE0 | Name: | 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | Formula: | C11 H12 N2 O4 | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1 | Definition date: | 2011-02-03 | Last modified: | 2024-09-27 | Identifier: | 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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 | NBQ | Name: | 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE | Formula: | C23 H22 N2 O6 | SMILES: | O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3 | InChi: | InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1 | Definition date: | 2004-03-08 | Last modified: | 2024-09-27 | Identifier: | 2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine |
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 | RE1 | Name: | GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE | Formula: | C11 H21 N3 O7 P | SMILES: | [O-]P(=O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C | InChi: | InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1 | Definition date: | 2002-10-15 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-[(ammonioacetyl)amino]-7-{[(1S)-1-(hydroxyphosphinato)ethyl]amino}-7-oxoheptanoate |
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 | Y9Z | Name: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine | Formula: | C14 H22 N6 O12 P2 | SMILES: | O=P(OCCNC(=O)C)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | InChi: | InChI=1S/C14H22N6O12P2/c1-6(21)16-2-3-29-33(25,26)32-34(27,28)30-4-7-9(22)10(23)13(31-7)20-5-17-8-11(20)18-14(15)19-12(8)24/h5,7,9-10,13,22-23H,2-4H2,1H3,(H,16,21)(H,25,26)(H,27,28)(H3,15,18,19,24)/t7-,9-,10-,13-/m1/s1 | Definition date: | 2013-12-27 | Last modified: | 2024-09-27 | Release date: | 2014-06-04 | Identifier: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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 | KHR | Name: | 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine | Formula: | C21 H20 F N5 O4 S | SMILES: | COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccncc4)cc(C)nc23 | InChi: | InChI=1S/C21H20FN5O4S/c1-13-10-19(24-12-15-6-8-23-9-7-15)27-21(25-13)20(14(2)26-27)16-4-5-17(30-3)18(11-16)31-32(22,28)29/h4-11,24H,12H2,1-3H3 | Definition date: | 2023-08-14 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine |
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 | 4G9 | Name: | 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide | Formula: | C10 H12 Cl2 N2 O3 S | SMILES: | Clc1c(cc(cc1)NC(=O)CCl)S(=O)(N(C)C)=O | InChi: | InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15) | Definition date: | 2015-03-17 | Last modified: | 2024-09-27 | Release date: | 2016-10-12 | Identifier: | 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide |
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 | O5C | Name: | 1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one | Formula: | C18 H14 F N O2 | SMILES: | Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O | InChi: | InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3 | Definition date: | 2023-08-16 | Last modified: | 2024-09-27 | Release date: | 2023-11-08 | Identifier: | 1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one |
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 | UM2 | Name: | (2S)-2-amino-N-butyl-propanamide | Formula: | C7 H16 N2 O | SMILES: | O=C(NCCCC)C(N)C | InChi: | InChI=1S/C7H16N2O/c1-3-4-5-9-7(10)6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1 | Synonyms: | N-butyl-L-alaninamide | Definition date: | 2009-03-24 | Last modified: | 2024-09-27 | Identifier: | N-butyl-L-alaninamide |
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 | UZY | Name: | N-hydroxy-6-sulfanylhexanamide | Formula: | C6 H13 N O2 S | SMILES: | C(CCCCCS)(NO)=O | InChi: | InChI=1S/C6H13NO2S/c8-6(7-9)4-2-1-3-5-10/h9-10H,1-5H2,(H,7,8) | Definition date: | 2020-06-09 | Last modified: | 2024-09-27 | Release date: | 2020-09-23 | Identifier: | N-hydroxy-6-sulfanylhexanamide |
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 | R0E | Name: | ProM-17 | Formula: | C14 H22 N2 O3 | SMILES: | CC(C)C[CH]1C=C[CH]2CCN[CH]2C(=O)N1CC(O)=O | InChi: | InChI=1S/C14H22N2O3/c1-9(2)7-11-4-3-10-5-6-15-13(10)14(19)16(11)8-12(17)18/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,17,18)/t10-,11-,13-/m0/s1 | Synonyms: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid | Definition date: | 2020-08-25 | Last modified: | 2024-09-27 | Release date: | 2020-10-07 | Identifier: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid |
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 | LAY | Name: | N-acetyl-L-leucine | Formula: | C8 H15 N O3 | SMILES: | O=C(NC(C(=O)O)CC(C)C)C | InChi: | InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 | Definition date: | 2015-01-22 | Last modified: | 2024-09-27 | Release date: | 2016-01-27 | Identifier: | N-acetyl-L-leucine |
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 | U8W | Name: | (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid | Formula: | C6 H15 O11 P S | SMILES: | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O | InChi: | InChI=1S/C6H15O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t3-,4+,5+,6+/m0/s1 | Definition date: | 2021-02-03 | Last modified: | 2024-09-27 | Release date: | 2021-04-14 | Identifier: | (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid |
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 | RE3 | Name: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | Formula: | C11 H12 N2 O4 | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1 | Definition date: | 2011-02-03 | Last modified: | 2024-09-27 | Identifier: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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 | XHZ | Name: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde | Formula: | C13 H8 O2 | SMILES: | C#Cc1cc2ccc(O)c(C=O)c2cc1 | InChi: | InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H | Definition date: | 2023-06-06 | Last modified: | 2024-09-27 | Release date: | 2023-12-13 | Identifier: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde |
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