 | | 3CT | | Name: | 3-chloro-L-tyrosine | | Formula: | C9 H10 Cl N O3 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2013-12-18 | | Last modified: | 2024-09-27 | | Release date: | 2015-08-19 | | Identifier: | 3-chloro-L-tyrosine |
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 | | 3CY | | Name: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID | | Formula: | C31 H34 N4 O9 S | | SMILES: | O=C(O)CC(C(=O)CSCc1ccccc1)NC(=O)C4N3c2c(cccc2CCC(C3=O)NC(=O)C(NC(=O)C)CC(=O)O)C4 | | InChi: | InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1 | | Definition date: | 2003-11-24 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-[({(2S,5S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid |
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 | | 3DR | | Name: | 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE | | Formula: | C5 H11 O6 P | | SMILES: | O=P(OCC1OCCC1O)(O)O | | InChi: | InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1 | | Synonyms: | ABASIC DIDEOXYRIBOSE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol |
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 | | 3DS | | Name: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid | | Formula: | C7 H8 O5 | | SMILES: | O=C1C=C(C(=O)O)CC(O)C1O | | InChi: | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1 | | Synonyms: | 3-dehydroshikimate | | Definition date: | 2010-05-27 | | Last modified: | 2024-09-27 | | Identifier: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid |
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 | | 3E5 | | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide | | Formula: | C35 H52 N4 O6 | | SMILES: | O=C(Nc1ccc(cc1C)C)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C | | InChi: | InChI=1S/C35H52N4O6/c1-21(2)16-28(31(40)34(43)36-27-15-14-24(7)19-25(27)8)37-32(41)29(17-22(3)4)38-33(42)30(18-23(5)6)39-35(44)45-20-26-12-10-9-11-13-26/h9-15,19,21-23,28-31,40H,16-18,20H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t28-,29-,30-,31-/m0/s1 | | Definition date: | 2014-08-05 | | Last modified: | 2024-09-27 | | Release date: | 2014-08-13 | | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide |
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 | | 3EG | | Name: | (2S)-2-amino-4,4,4-trifluorobutanoic acid | | Formula: | C4 H6 F3 N O2 | | SMILES: | FC(F)(F)CC(N)C(=O)O | | InChi: | InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1 | | Definition date: | 2011-10-13 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4,4,4-trifluorobutanoic acid |
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 | | 3F7 | | Name: | 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione) | | Formula: | C14 H8 N2 O4 | | SMILES: | O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O | | InChi: | InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H | | Definition date: | 2014-08-06 | | Last modified: | 2024-09-27 | | Release date: | 2014-12-10 | | Identifier: | 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione) |
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 | | 3F8 | | Name: | 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione) | | Formula: | C14 H16 N2 O6 | | SMILES: | O=C1C=CC(=O)N1CCOCCOCCN2C(=O)C=CC2=O | | InChi: | InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2 | | Definition date: | 2014-08-07 | | Last modified: | 2024-09-27 | | Release date: | 2014-12-10 | | Identifier: | 1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione) |
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 | | 3FB | | Name: | (3S)-3-AMINO-4-PHENYLBUTANOIC ACID | | Formula: | C10 H13 N O2 | | SMILES: | O=C(O)CC(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 2002-08-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-amino-4-phenylbutanoic acid |
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 | | 3FC | | Name: | (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE | | Formula: | C26 H32 F3 N5 O7 | | SMILES: | O=C3OCCN3NC(=O)C(=O)C(NC(=O)OC(Cc1nnc(o1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)CCCC | | InChi: | InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1 | | Definition date: | 2005-03-14 | | Last modified: | 2024-09-27 | | Identifier: | (1R)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl [(1S)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentyl]carbamate |
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 | | 3FG | | Name: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | | Formula: | C8 H9 N O4 | | SMILES: | O=C(O)C(c1cc(O)cc(O)c1)N | | InChi: | InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1 | | Definition date: | 2009-03-27 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid |
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 | | 3FO | | Name: | N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide | | Formula: | C22 H26 Cl N5 O5 S | | SMILES: | Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)NC(C(=O)NCC(=O)NCC=[N@H])Cc2ccccc2 | | InChi: | InChI=1S/C22H26ClN5O5S/c1-34(32,33)28-20(16-8-5-9-17(23)13-16)22(31)27-18(12-15-6-3-2-4-7-15)21(30)26-14-19(29)25-11-10-24/h2-10,13,18,20,24,28H,11-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-10-/t18-,20-/m0/s1 | | Definition date: | 2014-08-11 | | Last modified: | 2024-09-27 | | Release date: | 2014-09-10 | | Identifier: | N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide |
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 | | 3FS | | Name: | N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide | | Formula: | C16 H20 Cl2 N4 O4 | | SMILES: | Clc1cc(cc(Cl)c1)CC(=O)NC(C(=O)NCC(=O)NCC=[N@H])C(O)C | | InChi: | InChI=1S/C16H20Cl2N4O4/c1-9(23)15(16(26)21-8-14(25)20-3-2-19)22-13(24)6-10-4-11(17)7-12(18)5-10/h2,4-5,7,9,15,19,23H,3,6,8H2,1H3,(H,20,25)(H,21,26)(H,22,24)/b19-2-/t9-,15+/m1/s1 | | Definition date: | 2014-08-11 | | Last modified: | 2024-09-27 | | Release date: | 2014-09-10 | | Identifier: | N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide |
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 | | 3FU | | Name: | N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide | | Formula: | C22 H28 Cl2 N6 O2 | | SMILES: | Clc1cc(cc(Cl)c1)C(N(C)C)C(=O)NC(C(=O)NCc2nc(ncc2)C=[N@H])C(C)CC | | InChi: | InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20+/m0/s1 | | Definition date: | 2014-08-11 | | Last modified: | 2024-09-27 | | Release date: | 2014-09-10 | | Identifier: | N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide |
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 | | 3GC | | Name: | GAMMA-GLUTAMYLCYSTEINE | | Formula: | C8 H14 N2 O5 S | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)N)CS | | InChi: | InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1 | | Definition date: | 2002-07-01 | | Last modified: | 2024-09-27 | | Identifier: | L-gamma-glutamyl-L-cysteine |
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 | | 3GE | | Name: | N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine | | Formula: | C9 H15 N O6 S | | SMILES: | O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O | | InChi: | InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1 | | Definition date: | 2014-08-15 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-21 | | Identifier: | N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine |
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 | | 3GL | | Name: | (2S,4S)-2-amino-4-hydroxy-pentanedioic acid | | Formula: | C5 H9 N O5 | | SMILES: | O=C(O)C(N)CC(O)C(=O)O | | InChi: | InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1 | | Synonyms: | 4-HYDROXY-GLUTAMIC-ACID | | Definition date: | 2010-11-03 | | Last modified: | 2024-09-27 | | Identifier: | (2S,4S)-2-amino-4-hydroxypentanedioic acid (non-preferred name) |
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 | | 3HD | | Name: | 1,5-anhydro-3-O-methyl-D-mannitol | | Formula: | C7 H14 O5 | | SMILES: | O(C)C1C(O)C(OCC1O)CO | | InChi: | InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1 | | Synonyms: | 3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL | | Definition date: | 2006-06-30 | | Last modified: | 2024-09-27 | | Identifier: | 1,5-anhydro-3-O-methyl-D-mannitol |
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 | | 3HL | | Name: | (3S)-3-HYDROXYBUTANOIC ACID | | Formula: | C4 H8 O3 | | SMILES: | O=C(O)CC(O)C | | InChi: | InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 | | Definition date: | 2007-02-15 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-hydroxybutanoic acid |
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 | | 3IB | | Name: | 3-INDOLEBUTYRIC ACID | | Formula: | C12 H13 N O2 | | SMILES: | O=C(O)CCCc2c1ccccc1nc2 | | InChi: | InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-(1H-indol-3-yl)butanoic acid |
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 | | F2X | | Name: | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione | | Formula: | C11 H10 O3 | | SMILES: | C[CH]1CC(=O)c2c(O)cccc2C1=O | | InChi: | InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1 | | Definition date: | 2020-03-18 | | Last modified: | 2024-09-27 | | Release date: | 2020-07-29 | | Identifier: | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione |
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 | | F2Y | | Name: | 3,5-difluoro-L-tyrosine | | Formula: | C9 H9 F2 N O3 | | SMILES: | Fc1cc(cc(F)c1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9F2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 | | Definition date: | 2012-10-25 | | Last modified: | 2024-09-27 | | Release date: | 2013-03-13 | | Identifier: | 3,5-difluoro-L-tyrosine |
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 | | F3D | | Name: | 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide | | Formula: | C31 H36 N4 O2 | | SMILES: | C(/C(c1ccccc1)=C(/c2ccc(cc2)OCCNCCCC(N(C)C)=O)c3ccc4nncc4c3)C | | InChi: | InChI=1S/C31H36N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-7,9-10,12-17,21-22,32H,4,8,11,18-20H2,1-3H3,(H,33,34)/b31-28+ | | Definition date: | 2018-02-26 | | Last modified: | 2024-09-27 | | Release date: | 2018-03-21 | | Identifier: | 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide |
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 | | F3U | | Name: | 4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid | | Formula: | C21 H12 O6 | | SMILES: | OC(=O)c1ccc(C=O)cc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24 | | InChi: | InChI=1S/C21H12O6/c22-10-11-1-4-14(21(25)26)17(7-11)20-15-5-2-12(23)8-18(15)27-19-9-13(24)3-6-16(19)20/h1-10,23H,(H,25,26) | | Definition date: | 2022-01-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-01 | | Identifier: | 4-methanoyl-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid |
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 | | F3V | | Name: | 1-aminopropan-2-one | | Formula: | C3 H7 N O | | SMILES: | NCC(=O)C | | InChi: | InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3 | | Definition date: | 2018-02-26 | | Last modified: | 2024-09-27 | | Release date: | 2018-05-30 | | Identifier: | 1-aminopropan-2-one |
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