| VOY | Name: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide | Formula: | C31 H30 N8 O3 | SMILES: | CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N | InChi: | InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+ | Definition date: | 2020-08-31 | Last modified: | 2024-09-27 | Release date: | 2021-09-08 | Identifier: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide |
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| YVA | Name: | ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | Formula: | C28 H35 N3 O5 | SMILES: | C#Cc1ccc(cc1)/C=C/C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C28H35N3O5/c1-3-19-5-7-20(8-6-19)11-13-25(32)31-24(17-21-9-10-21)28(35)30-23(12-14-26(33)36-4-2)18-22-15-16-29-27(22)34/h1,5-8,11,13,21-24H,4,9-10,12,14-18H2,2H3,(H,29,34)(H,30,35)(H,31,32)/b13-11+/t22-,23+,24-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2024-09-27 | Release date: | 2022-10-12 | Identifier: | ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
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| 3TY | Name: | 3-[(3E)-3-(BENZYLHYDRAZONO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE | Formula: | C16 H17 N3 O4 | SMILES: | O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N | InChi: | InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1 | Definition date: | 2004-08-11 | Last modified: | 2024-09-27 | Identifier: | 3-[(3E)-3-(benzylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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| X2I | Name: | (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED) | Formula: | C33 H40 N4 O6 | SMILES: | O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1CCC(=O)O | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14,26,34-35H,2,7,9-13,15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-/t26-/m1/s1 | Synonyms: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid | Definition date: | 2023-10-19 | Last modified: | 2024-09-27 | Release date: | 2023-10-25 | Identifier: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid |
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| XYP | Name: | beta-D-xylopyranose | Formula: | C5 H10 O5 | SMILES: | OC1C(O)COC(O)C1O | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1 | Synonyms: | beta-D-xylose | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | beta-D-xylopyranose |
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| INA | Name: | 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE | Formula: | C29 H40 N6 O7 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C | InChi: | InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,4,6,7,10-pentaazatridec-1-yl]carbamate (non-preferred name) |
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| XYQ | Name: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE | Formula: | C17 H25 N5 O15 P2 | SMILES: | O=C(OC1OC(C(O)C1O)COP(=O)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C | InChi: | InChI=1S/C17H25N5O15P2/c1-6(23)34-17-13(27)11(25)8(36-17)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1 | Synonyms: | ACETYL-RIBOSYL-ADP | Definition date: | 2006-07-13 | Last modified: | 2024-09-27 | Identifier: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate (non-preferred name) |
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| WLU | Name: | (4R)-5-hydroxy-N-methyl-L-leucine | Formula: | C7 H15 N O3 | SMILES: | O=C(O)C(NC)CC(C)CO | InChi: | InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1 | Definition date: | 2013-06-18 | Last modified: | 2024-09-27 | Release date: | 2013-09-18 | Identifier: | (4R)-5-hydroxy-N-methyl-L-leucine |
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| 3U0 | Name: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid | Formula: | C10 H13 N3 O2 | SMILES: | NC(=N)NCc1ccc(CC(O)=O)cc1 | InChi: | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-7(2-4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) | Synonyms: | 2-[4-[(diaminomethylideneamino)methyl]phenyl]acetic acid | Definition date: | 2014-10-24 | Last modified: | 2024-09-27 | Release date: | 2022-10-19 | Identifier: | 2-[4-(carbamimidamidomethyl)phenyl]ethanoic acid |
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| SU8 | Name: | (2R)-2-butylbutanedioic acid | Formula: | C8 H14 O4 | SMILES: | O=C(O)C(CC(=O)O)CCCC | InChi: | InChI=1S/C8H14O4/c1-2-3-4-6(8(11)12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)/t6-/m1/s1 | Synonyms: | (2R)-2-butylsuccinic acid | Definition date: | 2014-07-25 | Last modified: | 2024-09-27 | Release date: | 2014-08-20 | Identifier: | (2R)-2-butylbutanedioic acid |
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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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| INC | Name: | 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER | Formula: | C9 H17 N O4 | SMILES: | O=C(N(O)C(C(=O)OC)CC(C)C)C | InChi: | InChI=1S/C9H17NO4/c1-6(2)5-8(9(12)14-4)10(13)7(3)11/h6,8,13H,5H2,1-4H3/t8-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | methyl N-acetyl-N-hydroxy-D-leucinate |
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| YVD | Name: | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide | Formula: | C29 H36 F2 N4 O5 | SMILES: | Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C29H36F2N4O5/c1-2-40-26(36)12-11-23(17-20-13-14-33-27(20)37)34-29(39)25(16-19-5-9-22(31)10-6-19)35-28(38)24(32)15-18-3-7-21(30)8-4-18/h3-10,20,23-25H,2,11-17,32H2,1H3,(H,33,37)(H,34,39)(H,35,38)/t20-,23+,24+,25-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2024-09-27 | Release date: | 2022-10-12 | Identifier: | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide |
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| XYS | Name: | alpha-D-xylopyranose | Formula: | C5 H10 O5 | SMILES: | OC1C(O)COC(O)C1O | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 | Synonyms: | alpha-D-xylose | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | alpha-D-xylopyranose |
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| 3U2 | Name: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide | Formula: | C14 H19 N O4 | SMILES: | O=C(NC1C(C(O)C(O)C(O)C1)C)c2ccccc2 | InChi: | InChI=1S/C14H19NO4/c1-8-10(7-11(16)13(18)12(8)17)15-14(19)9-5-3-2-4-6-9/h2-6,8,10-13,16-18H,7H2,1H3,(H,15,19)/t8-,10+,11-,12-,13+/m1/s1 | Definition date: | 2014-10-29 | Last modified: | 2024-09-27 | Release date: | 2014-11-12 | Identifier: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide |
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| 3U3 | Name: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide | Formula: | C9 H17 N O4 | SMILES: | O=C(NC1C(C(O)C(O)C(O)C1)C)C | InChi: | InChI=1S/C9H17NO4/c1-4-6(10-5(2)11)3-7(12)9(14)8(4)13/h4,6-9,12-14H,3H2,1-2H3,(H,10,11)/t4-,6+,7-,8-,9+/m1/s1 | Definition date: | 2014-10-29 | Last modified: | 2024-09-27 | Release date: | 2014-11-05 | Identifier: | N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide |
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| YVG | Name: | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Formula: | C29 H38 N4 O5 | SMILES: | NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C29H38N4O5/c1-2-38-26(34)14-13-23(19-22-15-16-31-27(22)35)32-29(37)25(18-21-11-7-4-8-12-21)33-28(36)24(30)17-20-9-5-3-6-10-20/h3-12,22-25H,2,13-19,30H2,1H3,(H,31,35)(H,32,37)(H,33,36)/t22-,23+,24+,25-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2024-09-27 | Release date: | 2022-10-12 | Identifier: | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide |
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| UG5 | Name: | 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde | Formula: | C11 H7 F3 N2 O | SMILES: | FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2 | InChi: | InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H | Definition date: | 2021-02-16 | Last modified: | 2024-09-27 | Release date: | 2021-06-16 | Identifier: | 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde |
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| UU4 | Name: | (2S)-2-amino-4-(L-serylamino)butanoic acid | Formula: | C7 H15 N3 O4 | SMILES: | O=C(NCCC(C(=O)O)N)C(N)CO | InChi: | InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1 | Definition date: | 2012-11-14 | Last modified: | 2024-09-27 | Release date: | 2013-08-21 | Identifier: | (2S)-2-amino-4-(L-serylamino)butanoic acid |
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| VAD | Name: | DEAMINOHYDROXYVALINE | Formula: | C5 H10 O3 | SMILES: | O=C(O)C(O)C(C)C | InChi: | InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-hydroxy-3-methylbutanoic acid |
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| UU5 | Name: | (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid | Formula: | C6 H10 N2 O4 | SMILES: | O=C(O)C(N)CCNC(=O)C=O | InChi: | InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1 | Definition date: | 2012-11-12 | Last modified: | 2024-09-27 | Release date: | 2013-08-21 | Identifier: | (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid |
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| ING | Name: | D-[(AMINO)CARBONYL]PHENYLALANINE | Formula: | C10 H12 N2 O3 | SMILES: | O=C(O)C(NC(=O)N)Cc1ccccc1 | InChi: | InChI=1S/C10H12N2O3/c11-10(15)12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15)/t8-/m0/s1 | Definition date: | 2000-11-21 | Last modified: | 2024-09-27 | Identifier: | N-carbamoyl-L-phenylalanine |
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| YVJ | Name: | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Formula: | C29 H37 F N4 O5 | SMILES: | Fc1ccc(cc1)CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | InChi: | InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-19-6-4-3-5-7-19)34-28(37)24(31)16-20-8-10-22(30)11-9-20/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2024-09-27 | Release date: | 2022-10-12 | Identifier: | 4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide |
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| SGB | Name: | O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE | Formula: | C7 H16 N O5 P | SMILES: | O=P(OCC(N)C(=O)O)(OC(C)C)C | InChi: | InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1 | Definition date: | 2007-02-13 | Last modified: | 2024-09-27 | Identifier: | O-[(S)-methyl(1-methylethoxy)phosphoryl]-L-serine |
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| T9E | Name: | Selenothreonine | Formula: | C4 H9 N O2 Se | SMILES: | C[CH]([SeH])[CH](N)C(O)=O | InChi: | InChI=1S/C4H9NO2Se/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1 | Definition date: | 2018-02-17 | Last modified: | 2024-09-27 | Release date: | 2019-02-20 | Identifier: | (2~{R},3~{R})-2-azanyl-3-selanyl-butanoic acid |
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