 | L0S | Name: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate | Formula: | C8 H19 N2 O2 P | SMILES: | COP(/N=C(/N(CC)CC)C)(=O)C | InChi: | InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1 | Synonyms: | A-232 | Definition date: | 2019-01-30 | Last modified: | 2024-09-27 | Release date: | 2020-07-01 | Identifier: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate |
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 | XM2 | Name: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | Formula: | C32 H44 N4 O7 | SMILES: | c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O | InChi: | InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1 | Definition date: | 2020-08-13 | Last modified: | 2024-09-27 | Release date: | 2020-12-23 | Identifier: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide |
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 | X8R | Name: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one | Formula: | C10 H16 N2 O2 | SMILES: | CC(=O)N1C2CC3CC1CC(C2)N3O | InChi: | InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+ | Definition date: | 2022-11-07 | Last modified: | 2024-09-27 | Release date: | 2023-02-15 | Identifier: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
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 | ZCQ | Name: | 3-nitrophenol | Formula: | C6 H5 N O3 | SMILES: | O=[N+]([O-])c1cccc(O)c1 | InChi: | InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H | Definition date: | 2012-12-17 | Last modified: | 2024-09-27 | Release date: | 2019-08-28 | Identifier: | 3-nitrophenol |
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 | ZUK | Name: | 5-pyrimidin-2-yl-D-norvaline | Formula: | C9 H13 N3 O2 | SMILES: | O=C(O)C(N)CCCc1ncccn1 | InChi: | InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1 | Definition date: | 2009-07-31 | Last modified: | 2024-09-27 | Identifier: | 5-pyrimidin-2-yl-D-norvaline |
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 | T4Q | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide | Formula: | C17 H16 N2 O S2 | SMILES: | SCCCNC(=O)c1ccccc1Sc2ccccc2C#N | InChi: | InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20) | Definition date: | 2020-12-15 | Last modified: | 2024-09-27 | Release date: | 2021-07-07 | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide |
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 | UCV | Name: | 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea | Formula: | C6 H15 N3 O | SMILES: | CC(C)[CH](N)CNC(N)=O | InChi: | InChI=1S/C6H15N3O/c1-4(2)5(7)3-9-6(8)10/h4-5H,3,7H2,1-2H3,(H3,8,9,10)/t5-/m1/s1 | Definition date: | 2018-08-22 | Last modified: | 2024-09-27 | Release date: | 2020-07-08 | Identifier: | 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea |
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 | SBD | Name: | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | Formula: | C17 H22 B N2 O6 | SMILES: | O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12 | InChi: | InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1S)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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 | SBE | Name: | 1,3,2-DIOXABOROLAN-2-OL | Formula: | C2 H5 B O3 | SMILES: | OB1OCCO1 | InChi: | InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2 | Definition date: | 2004-02-02 | Last modified: | 2024-09-27 | Identifier: | 1,3,2-dioxaborolan-2-ol |
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 | SBG | Name: | O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE | Formula: | C4 H10 N O5 P | SMILES: | O=P(OCC(C(=O)O)N)(O)C | InChi: | InChI=1S/C4H10NO5P/c1-11(8,9)10-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1 | Definition date: | 2007-02-13 | Last modified: | 2024-09-27 | Identifier: | O-[(S)-hydroxy(methyl)phosphoryl]-L-serine |
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 | UCY | Name: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate | Formula: | C8 H17 O2 P | SMILES: | CP(=O)OC1C(C)(CCC1)C | InChi: | InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1 | Synonyms: | 2,2-dimethylcyclopentyl methylphosphinate | Definition date: | 2020-05-07 | Last modified: | 2024-09-27 | Release date: | 2021-02-17 | Identifier: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate |
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 | O9E | Name: | ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide | Formula: | C30 H38 N8 O2 S2 | SMILES: | CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3)c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1 | InChi: | InChI=1S/C30H38N8O2S2/c1-7-12-38-18-22(32-34-38)16-36(6)30(40)28-14-26(20(4)42-28)24-11-9-10-23(24)25-13-27(41-19(25)3)29(39)35(5)15-21-17-37(8-2)33-31-21/h13-14,17-18H,7-12,15-16H2,1-6H3 | Definition date: | 2020-02-24 | Last modified: | 2024-09-27 | Release date: | 2020-05-20 | Identifier: | ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide |
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 | KLU | Name: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide | Formula: | C11 H11 Cl N2 O3 | SMILES: | ClCC(=O)N1CC(Oc2ccccc21)C(N)=O | InChi: | InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1 | Definition date: | 2022-02-04 | Last modified: | 2024-09-27 | Release date: | 2023-02-15 | Identifier: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
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 | T4V | Name: | 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one | Formula: | C17 H20 N2 O | SMILES: | N1(CCN(CC1)C(C)=O)Cc2cccc3ccccc23 | InChi: | InChI=1S/C17H20N2O/c1-14(20)19-11-9-18(10-12-19)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8H,9-13H2,1H3 | Definition date: | 2020-03-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one |
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 | SQW | Name: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate | Formula: | C15 H17 N O3 | SMILES: | CC(C)OC(=O)CCC(=O)n1ccc2ccccc12 | InChi: | InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3 | Definition date: | 2020-11-30 | Last modified: | 2024-09-27 | Release date: | 2021-08-04 | Identifier: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate |
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 | T4W | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide | Formula: | C16 H14 N2 O S2 | SMILES: | SCCNC(=O)c1ccccc1Sc2ccccc2C#N | InChi: | InChI=1S/C16H14N2OS2/c17-11-12-5-1-3-7-14(12)21-15-8-4-2-6-13(15)16(19)18-9-10-20/h1-8,20H,9-10H2,(H,18,19) | Definition date: | 2020-12-15 | Last modified: | 2024-09-27 | Release date: | 2021-07-07 | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide |
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 | MMO | Name: | N~2~-methyl-L-arginine | Formula: | C7 H16 N4 O2 | SMILES: | O=C(O)C(NC)CCCNC(=[N@H])N | InChi: | InChI=1S/C7H16N4O2/c1-10-5(6(12)13)3-2-4-11-7(8)9/h5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/t5-/m0/s1 | Definition date: | 2001-07-18 | Last modified: | 2024-09-27 | Identifier: | N~2~-methyl-L-arginine |
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 | VYA | Name: | 2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | Formula: | C17 H21 N3 O4 | SMILES: | CC(C)C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O | InChi: | InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,13,21H,7,9,18H2,1-2H3,(H,22,23)/b14-8-/t13-/m0/s1 | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | Definition date: | 2017-08-09 | Last modified: | 2024-09-27 | Release date: | 2017-12-06 | Identifier: | 2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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 | 4KF | Name: | (2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid | Formula: | C17 H25 N O6 | SMILES: | c1c(OC)cc(cc1CNC(C(C(C(=O)O)C(CC)C)O)=O)OC | InChi: | InChI=1S/C17H25NO6/c1-5-10(2)14(17(21)22)15(19)16(20)18-9-11-6-12(23-3)8-13(7-11)24-4/h6-8,10,14-15,19H,5,9H2,1-4H3,(H,18,20)(H,21,22)/t10-,14-,15+/m0/s1 | Definition date: | 2015-03-27 | Last modified: | 2024-09-27 | Release date: | 2015-05-27 | Identifier: | (2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid |
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 | OP0 | Name: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide | Formula: | C9 H18 N4 O7 S | SMILES: | O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1 | InChi: | InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1 | Definition date: | 2014-12-09 | Last modified: | 2024-09-27 | Release date: | 2015-07-01 | Identifier: | (2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide |
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 | ZUV | Name: | ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate | Formula: | C17 H31 F N O4 P | SMILES: | FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC | InChi: | InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1 | Definition date: | 2023-04-04 | Last modified: | 2024-09-27 | Release date: | 2024-04-17 | Identifier: | ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate |
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 | T4Y | Name: | 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one | Formula: | C15 H22 N2 O | SMILES: | N2(CCCN(Cc1ccccc1C)CC2)C(=O)C | InChi: | InChI=1S/C15H22N2O/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(11-10-16)14(2)18/h3-4,6-7H,5,8-12H2,1-2H3 | Definition date: | 2020-03-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one |
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 | SBL | Name: | L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | Formula: | C17 H22 B N2 O6 | SMILES: | O=C(O)C(N)CO[B-](O)(O)C(NC(=O)C)Cc2cccc1ccccc12 | InChi: | InChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1R)-1-(acetylamino)-2-naphthalen-1-ylethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-) |
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 | T4Z | Name: | 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide | Formula: | C11 H14 Cl N O S2 | SMILES: | SCCCNC(=O)CSc1ccc(Cl)cc1 | InChi: | InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14) | Definition date: | 2020-12-15 | Last modified: | 2024-09-27 | Release date: | 2021-07-07 | Identifier: | 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide |
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 | PWQ | Name: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid | Formula: | C12 H12 N2 O4 | SMILES: | OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O | InChi: | InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+ | Definition date: | 2020-04-30 | Last modified: | 2024-09-27 | Release date: | 2021-01-20 | Identifier: | 4-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid |
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