 | YW0 | Name: | methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate | Formula: | C20 H27 N3 O4 | SMILES: | C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O | InChi: | InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26) | Definition date: | 2023-06-22 | Last modified: | 2024-09-27 | Release date: | 2024-03-06 | Identifier: | methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate |
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 | Y51 | Name: | (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C22 H35 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C22H35N3O8S/c1-12(2)7-17(25-22(29)33-11-16-9-13-3-4-14(16)8-13)20(27)24-18(21(28)34(30,31)32)10-15-5-6-23-19(15)26/h3-4,12-18,21,28H,5-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,14+,15-,16+,17-,18-,21+/m0/s1 | Definition date: | 2021-02-03 | Last modified: | 2024-09-27 | Release date: | 2021-02-17 | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(1~{S},2~{S},4~{S})-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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 | FH7 | Name: | N^5^-formyl-N^5^-hydroxy-D-ornithine | Formula: | C6 H12 N2 O4 | SMILES: | O=C(O)C(N)CCCN(O)C=O | InChi: | InChI=1S/C6H12N2O4/c7-5(6(10)11)2-1-3-8(12)4-9/h4-5,12H,1-3,7H2,(H,10,11)/t5-/m1/s1 | Definition date: | 2008-12-20 | Last modified: | 2024-09-27 | Identifier: | N~5~-formyl-N~5~-hydroxy-D-ornithine |
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 | Y56 | Name: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide | Formula: | C34 H36 N8 O2 | SMILES: | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1 | InChi: | InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1 | Definition date: | 2021-10-12 | Last modified: | 2024-09-27 | Release date: | 2023-06-28 | Identifier: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide |
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 | Y57 | Name: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine | Formula: | C17 H28 N2 O2 | SMILES: | C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1 | InChi: | InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | Definition date: | 2021-02-04 | Last modified: | 2024-09-27 | Release date: | 2021-12-15 | Identifier: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine |
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 | Z | Name: | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE | Formula: | C9 H13 N2 O7 P | SMILES: | O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1 | Synonyms: | 2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE | Definition date: | 2002-09-09 | Last modified: | 2024-09-27 | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one |
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 | YIL | Name: | N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide | Formula: | C30 H41 N7 O5 S | SMILES: | CC(=O)NCc1cccc(c1)CC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(O)(O)c1nc2ccccc2s1 | InChi: | InChI=1S/C30H41N7O5S/c1-18(2)14-23(35-26(39)16-20-8-6-9-21(15-20)17-34-19(3)38)27(40)37-25(12-7-13-33-29(31)32)30(41,42)28-36-22-10-4-5-11-24(22)43-28/h4-6,8-11,15,18,23,25,41-42H,7,12-14,16-17H2,1-3H3,(H,34,38)(H,35,39)(H,37,40)(H4,31,32,33)/t23-,25-/m0/s1 | Definition date: | 2023-02-06 | Last modified: | 2024-09-27 | Release date: | 2024-07-10 | Identifier: | N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide |
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 | FHE | Name: | 2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | Formula: | C22 H20 N4 O7 | SMILES: | CC(=O)[CH](N)C1=NC(=Cc2ccc(OCc3ccccc3[N+]([O-])=O)cc2)C(=O)N1CC(O)=O | InChi: | InChI=1S/C22H20N4O7/c1-13(27)20(23)21-24-17(22(30)25(21)11-19(28)29)10-14-6-8-16(9-7-14)33-12-15-4-2-3-5-18(15)26(31)32/h2-10,20H,11-12,23H2,1H3,(H,28,29)/b17-10-/t20-/m0/s1 | Definition date: | 2018-07-06 | Last modified: | 2024-09-27 | Release date: | 2019-04-24 | Identifier: | 2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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 | NL7 | Name: | 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid | Formula: | C12 H12 N2 O6 S2 | SMILES: | c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O | InChi: | InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19) | Definition date: | 2019-05-20 | Last modified: | 2024-09-27 | Release date: | 2020-03-04 | Identifier: | 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid |
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 | YWF | Name: | gamma-aminobutenoic acid | Formula: | C4 H7 N O2 | SMILES: | NCC=CC(O)=O | InChi: | InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+ | Synonyms: | (E)-4-azanylbut-2-enoic acid | Definition date: | 2023-06-22 | Last modified: | 2024-09-27 | Release date: | 2024-06-05 | Identifier: | (~{E})-4-azanylbut-2-enoic acid |
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 | FHH | Name: | methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate | Formula: | C14 H18 N2 O4 | SMILES: | COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O | InChi: | InChI=1S/C14H18N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h8H,2-7H2,1H3,(H,15,18)(H,16,19) | Definition date: | 2018-07-06 | Last modified: | 2024-09-27 | Release date: | 2019-01-30 | Identifier: | methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate |
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 | NL9 | Name: | [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid | Formula: | C9 H8 B Cl N2 O2 | SMILES: | Clc1cccc(c1)n2ncc(c2)B(O)O | InChi: | InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H | Definition date: | 2013-08-06 | Last modified: | 2024-09-27 | Release date: | 2014-07-30 | Identifier: | [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid |
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 | Y5F | Name: | 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide | Formula: | C13 H7 Cl N4 O3 | SMILES: | O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O | InChi: | InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19) | Definition date: | 2023-01-05 | Last modified: | 2024-09-27 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide |
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 | FHJ | Name: | dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | Formula: | C25 H27 N O5 | SMILES: | c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)C(=O)OC)Cc4ccc(cc4)C | InChi: | InChI=1S/C25H27NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-22,26H,15H2,1-3H3/t19-,20+,21+,22-,25-/m1/s1 | Definition date: | 2018-04-02 | Last modified: | 2024-09-27 | Release date: | 2019-01-16 | Identifier: | dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
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 | YWJ | Name: | 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Formula: | C25 H34 N4 O5 | SMILES: | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCNC1=O)C(C)=O | InChi: | InChI=1S/C25H34N4O5/c1-14(2)11-20(24(32)28-19(15(3)30)12-16-7-6-10-26-23(16)31)29-25(33)21-13-17-18(27-21)8-5-9-22(17)34-4/h5,8-9,13-14,16,19-20,27H,6-7,10-12H2,1-4H3,(H,26,31)(H,28,32)(H,29,33)/t16-,19-,20-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2024-09-27 | Release date: | 2021-07-21 | Identifier: | 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide |
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 | NLB | Name: | 6-(benzyloxy)-L-norleucine | Formula: | C13 H19 N O3 | SMILES: | O=C(O)C(N)CCCCOCc1ccccc1 | InChi: | InChI=1S/C13H19NO3/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16)/t12-/m0/s1 | Definition date: | 2014-11-09 | Last modified: | 2024-09-27 | Release date: | 2015-02-11 | Identifier: | 6-(benzyloxy)-L-norleucine |
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 | FHL | Name: | (E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE | Formula: | C11 H20 N2 O5 | SMILES: | O=C(O)C(N)CCCC/N=C(/CO)CCC(=O)O | InChi: | InChI=1S/C11H20N2O5/c12-9(11(17)18)3-1-2-6-13-8(7-14)4-5-10(15)16/h9,14H,1-7,12H2,(H,15,16)(H,17,18)/b13-8+/t9-/m0/s1 | Synonyms: | 2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID | Definition date: | 2005-09-11 | Last modified: | 2024-09-27 | Identifier: | (E)-N~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-L-lysine |
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 | NLE | Name: | NORLEUCINE | Formula: | C6 H13 N O2 | SMILES: | O=C(O)C(N)CCCC | InChi: | InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | L-norleucine |
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 | NLF | Name: | N-formyl-L-tryptophan | Formula: | C12 H12 N2 O3 | SMILES: | O=C(O)C(NC=O)Cc1c[NH]c2ccccc21 | InChi: | InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1 | Definition date: | 2022-04-05 | Last modified: | 2024-09-27 | Release date: | 2022-08-17 | Identifier: | N-formyl-L-tryptophan |
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 | FHO | Name: | N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE | Formula: | C6 H12 N2 O4 | SMILES: | O=C(O)C(N)CCCN(O)C=O | InChi: | InChI=1S/C6H12N2O4/c7-5(6(10)11)2-1-3-8(12)4-9/h4-5,12H,1-3,7H2,(H,10,11)/t5-/m0/s1 | Definition date: | 2008-10-14 | Last modified: | 2024-09-27 | Identifier: | N~5~-formyl-N~5~-hydroxy-L-ornithine |
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 | NLG | Name: | N-ACETYL-L-GLUTAMATE | Formula: | C7 H11 N O5 | SMILES: | O=C(NC(C(=O)O)CCC(=O)O)C | InChi: | InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 | Definition date: | 2001-12-28 | Last modified: | 2024-09-27 | Identifier: | N-acetyl-L-glutamic acid |
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 | Y5O | Name: | 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide | Formula: | C13 H7 Cl N4 O3 | SMILES: | N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cn1 | InChi: | InChI=1S/C13H7ClN4O3/c14-12-4-3-10(18(20)21)5-11(12)13(19)17-9-2-1-8(6-15)16-7-9/h1-5,7H,(H,17,19) | Definition date: | 2023-01-05 | Last modified: | 2024-09-27 | Release date: | 2024-04-17 | Identifier: | 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide |
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 | FHR | Name: | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Formula: | C25 H32 N4 O4 | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3 | InChi: | InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1 | Definition date: | 2020-05-14 | Last modified: | 2024-09-27 | Release date: | 2020-05-27 | Identifier: | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide |
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 | ZKO | Name: | N-SUCCINYL-GLUTAMINE | Formula: | C9 H14 N2 O6 | SMILES: | NC(=O)CC[CH](NC(=O)CCC(O)=O)C(O)=O | InChi: | InChI=1S/C9H14N2O6/c10-6(12)2-1-5(9(16)17)11-7(13)3-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)(H,16,17)/t5-/m0/s1 | Synonyms: | 5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid | Definition date: | 2024-01-22 | Last modified: | 2024-09-27 | Release date: | 2024-04-24 | Identifier: | 5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid |
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 | NLJ | Name: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid | Formula: | C12 H12 N2 O6 S2 | SMILES: | c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O | InChi: | InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19) | Definition date: | 2019-05-20 | Last modified: | 2024-09-27 | Release date: | 2020-03-04 | Identifier: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid |
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