 | | 4MT | | Name: | N-[2-(4-hydroxyphenyl)ethyl]thioformamide | | Formula: | C9 H11 N O S | | SMILES: | S=CNCCc1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,7,11H,5-6H2,(H,10,12) | | Synonyms: | N-(4-hydroxyphenethyl)methanethioamide | | Definition date: | 2014-02-17 | | Last modified: | 2024-09-27 | | Release date: | 2014-03-12 | | Identifier: | N-[2-(4-hydroxyphenyl)ethyl]thioformamide |
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 | | 4MZ | | Name: | 4-METHYLIMIDAZOLE | | Formula: | C4 H6 N2 | | SMILES: | n1c(cnc1)C | | InChi: | InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6) | | Definition date: | 2000-01-20 | | Last modified: | 2024-09-27 | | Identifier: | 4-methyl-1H-imidazole |
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 | | 4N1 | | Name: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium | | Formula: | C16 H19 N4 O2 S | | SMILES: | c1(OC)nc2c(cc1)nc(n2)[n+]3c(c(c(OC)c(c3)C)C)CS | | InChi: | InChI=1S/C16H18N4O2S/c1-9-7-20(12(8-23)10(2)14(9)22-4)16-17-11-5-6-13(21-3)18-15(11)19-16/h5-7H,8H2,1-4H3,(H-,17,18,19,23)/p+1 | | Definition date: | 2016-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2017-11-15 | | Identifier: | 4-methoxy-1-(5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl)-3,5-dimethyl-2-(sulfanylmethyl)pyridin-1-ium |
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 | | 4N2 | | Name: | beta-L-idopyranose | | Formula: | C6 H12 O6 | | SMILES: | C1(OC(C(C(C1O)O)O)CO)O | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6-/m0/s1 | | Synonyms: | beta-L-idose | | Definition date: | 2016-03-21 | | Last modified: | 2024-09-27 | | Release date: | 2016-06-08 | | Identifier: | beta-L-idopyranose |
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 | | 4N3 | | Name: | N-octanoyl-D-valine | | Formula: | C13 H25 N O3 | | SMILES: | N(C(C(C)C)C(=O)O)C(=O)CCCCCCC | | InChi: | InChI=1S/C13H25NO3/c1-4-5-6-7-8-9-11(15)14-12(10(2)3)13(16)17/h10,12H,4-9H2,1-3H3,(H,14,15)(H,16,17)/t12-/m1/s1 | | Definition date: | 2016-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-28 | | Identifier: | N-octanoyl-D-valine |
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 | | 4N5 | | Name: | 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone | | Formula: | C16 H13 Cl N4 O3 S | | SMILES: | CC(c1cccc(c1)n2c(nnn2)S(Cc3cccc(c3)Cl)(=O)=O)=O | | InChi: | InChI=1S/C16H13ClN4O3S/c1-11(22)13-5-3-7-15(9-13)21-16(18-19-20-21)25(23,24)10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3 | | Definition date: | 2015-04-19 | | Last modified: | 2024-09-27 | | Release date: | 2015-06-17 | | Identifier: | 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone |
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 | | 4N6 | | Name: | 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol | | Formula: | C8 H7 Cl N4 O4 | | SMILES: | [O-][N+](=O)c2c1nonc1c(cc2NCCO)Cl | | InChi: | InChI=1S/C8H7ClN4O4/c9-4-3-5(10-1-2-14)8(13(15)16)7-6(4)11-17-12-7/h3,10,14H,1-2H2 | | Definition date: | 2015-04-19 | | Last modified: | 2024-09-27 | | Release date: | 2015-07-29 | | Identifier: | 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol |
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 | | 4N7 | | Name: | 1-[(1Z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-L-proline | | Formula: | C21 H21 N O3 | | SMILES: | N1(C(C(O)=O)CCC1)/C(=CC(=O)c2ccc(cc2)C)c3ccccc3 | | InChi: | InChI=1S/C21H21NO3/c1-15-9-11-17(12-10-15)20(23)14-19(16-6-3-2-4-7-16)22-13-5-8-18(22)21(24)25/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H,24,25)/b19-14-/t18-/m0/s1 | | Definition date: | 2015-04-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-28 | | Identifier: | 1-[(1Z)-3-(4-methylphenyl)-3-oxo-1-phenylprop-1-en-1-yl]-L-proline |
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 | | 4N8 | | Name: | 1-[(furan-2-ylmethyl)carbamothioyl]-L-proline | | Formula: | C11 H14 N2 O3 S | | SMILES: | C(C1N(CCC1)C(=S)NCc2occc2)(=O)O | | InChi: | InChI=1S/C11H14N2O3S/c14-10(15)9-4-1-5-13(9)11(17)12-7-8-3-2-6-16-8/h2-3,6,9H,1,4-5,7H2,(H,12,17)(H,14,15)/t9-/m0/s1 | | Definition date: | 2015-04-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-28 | | Identifier: | 1-[(furan-2-ylmethyl)carbamothioyl]-L-proline |
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 | | 4N9 | | Name: | 1-[(4-cyanobenzyl)carbamothioyl]-L-proline | | Formula: | C14 H15 N3 O2 S | | SMILES: | C(=O)(O)C2N(C(NCc1ccc(cc1)C#N)=S)CCC2 | | InChi: | InChI=1S/C14H15N3O2S/c15-8-10-3-5-11(6-4-10)9-16-14(20)17-7-1-2-12(17)13(18)19/h3-6,12H,1-2,7,9H2,(H,16,20)(H,18,19)/t12-/m0/s1 | | Definition date: | 2015-04-20 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-28 | | Identifier: | 1-[(4-cyanobenzyl)carbamothioyl]-L-proline |
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 | | 4ND | | Name: | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | | Formula: | C14 H15 N5 O | | SMILES: | O=C(N(c1ccccc1)c2ccccc2)NNC(=[N@H])N | | InChi: | InChI=1S/C14H15N5O/c15-13(16)17-18-14(20)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,20)(H4,15,16,17) | | Definition date: | 2003-01-24 | | Last modified: | 2024-09-27 | | Identifier: | 2-carbamimidoyl-N,N-diphenylhydrazinecarboxamide |
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 | | 4NF | | Name: | N-(4-nitrophenyl)thioformamide | | Formula: | C7 H6 N2 O2 S | | SMILES: | S=CNc1ccc(cc1)[N+]([O-])=O | | InChi: | InChI=1S/C7H6N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-5H,(H,8,12) | | Synonyms: | 4-NITROPHENYL ISOTHIOCYANATE, bound form | | Definition date: | 2012-04-08 | | Last modified: | 2024-09-27 | | Release date: | 2012-12-07 | | Identifier: | N-(4-nitrophenyl)thioformamide |
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 | | 4NT | | Name: | [(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C15 H16 Cl N3 O5 | | SMILES: | NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(Cl)c(cc2)O | | InChi: | InChI=1S/C15H16ClN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2015-04-21 | | Last modified: | 2024-09-27 | | Release date: | 2015-06-10 | | Identifier: | [(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | 4NU | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C15 H15 Cl2 N3 O5 | | SMILES: | NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=CC2C=C(Cl)C(C(=C2)Cl)=O | | InChi: | InChI=1S/C15H15Cl2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6-7,12,21H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2015-04-21 | | Last modified: | 2024-09-27 | | Release date: | 2015-06-10 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | 4OG | | Name: | 3-(1-benzothiophen-3-yl)-L-alanine | | Formula: | C11 H11 N O2 S | | SMILES: | c12scc(c1cccc2)CC(N)C(O)=O | | InChi: | InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2015-04-28 | | Last modified: | 2024-09-27 | | Release date: | 2016-03-02 | | Identifier: | 3-(1-benzothiophen-3-yl)-L-alanine |
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 | | 4OJ | | Name: | (2-methylphenyl) dihydrogen phosphate | | Formula: | C7 H9 O4 P | | SMILES: | O=P(O)(Oc1ccccc1C)O | | InChi: | InChI=1S/C7H9O4P/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H2,8,9,10) | | Synonyms: | o-cresyl-phosphate | | Definition date: | 2012-09-30 | | Last modified: | 2024-09-27 | | Release date: | 2013-02-01 | | Identifier: | 2-methylphenyl dihydrogen phosphate |
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 | | 4OO | | Name: | 4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine | | Formula: | C9 H11 N4 O2 | | SMILES: | N(=[N+]=N)c1ccc(CC(C(O)=O)N)cc1 | | InChi: | InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8,11H,5,10H2/p+1/t8-/m0/s1 | | Definition date: | 2015-04-29 | | Last modified: | 2024-09-27 | | Release date: | 2015-09-16 | | Identifier: | 4-triaza-1,2-dien-2-ium-1-yl-L-phenylalanine |
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 | | 4OU | | Name: | 4-(acryloylamino)-L-phenylalanine | | Formula: | C12 H14 N2 O3 | | SMILES: | c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1 | | Definition date: | 2015-04-29 | | Last modified: | 2024-09-27 | | Release date: | 2015-05-20 | | Identifier: | 4-(acryloylamino)-L-phenylalanine |
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 | | 4OV | | Name: | (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C19 H24 N4 O7 S | | SMILES: | C(O)(=O)C1=C(C)CSC(N1)C(C(=O)OCC(C(O)=O)N)NC(C(N)c2ccccc2)=O | | InChi: | InChI=1S/C19H24N4O7S/c1-9-8-31-16(23-13(9)18(27)28)14(19(29)30-7-11(20)17(25)26)22-15(24)12(21)10-5-3-2-4-6-10/h2-6,11-12,14,16,23H,7-8,20-21H2,1H3,(H,22,24)(H,25,26)(H,27,28)/t11-,12+,14-,16+/m0/s1 | | Definition date: | 2015-04-29 | | Last modified: | 2024-09-27 | | Release date: | 2015-05-20 | | Identifier: | (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | 4OX | | Name: | 4-OXODECANEDIOIC ACID | | Formula: | C10 H16 O5 | | SMILES: | O=C(O)CCC(=O)CCCCCC(=O)O | | InChi: | InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15) | | Synonyms: | 4-OXOSEBACIC ACID | | Definition date: | 2001-08-01 | | Last modified: | 2024-09-27 | | Identifier: | 4-oxodecanedioic acid |
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 | | 4PA | | Name: | PROPYL ACETATE | | Formula: | C5 H10 O2 | | SMILES: | O=C(OCCC)C | | InChi: | InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 | | Definition date: | 2004-07-05 | | Last modified: | 2024-09-27 | | Identifier: | propyl acetate |
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 | | 4PH | | Name: | 4-methyl-L-phenylalanine | | Formula: | C10 H13 N O2 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)C | | InChi: | InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1 | | Definition date: | 2008-01-18 | | Last modified: | 2024-09-27 | | Identifier: | 4-methyl-L-phenylalanine |
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 | | 4PQ | | Name: | 5-hydroxy-L-tryptophan | | Formula: | C11 H12 N2 O3 | | SMILES: | NC(C(=O)O)Cc1cnc2ccc(cc12)O | | InChi: | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 | | Synonyms: | Oxitriptan | | Definition date: | 2015-05-01 | | Last modified: | 2024-09-27 | | Release date: | 2017-01-11 | | Identifier: | 5-hydroxy-L-tryptophan |
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 | | 4PR | | Name: | (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE | | Formula: | C28 H41 N5 O6 | | SMILES: | O=C(Nc1c(onc1C)C)N3CC(C)(C)C(OC(=O)NC(C(O)C(=O)NC(c2ccccc2)C)CCCC)C3 | | InChi: | InChI=1S/C28H41N5O6/c1-7-8-14-21(24(34)25(35)29-17(2)20-12-10-9-11-13-20)30-27(37)38-22-15-33(16-28(22,5)6)26(36)31-23-18(3)32-39-19(23)4/h9-13,17,21-22,24,34H,7-8,14-16H2,1-6H3,(H,29,35)(H,30,37)(H,31,36)/t17-,21+,22-,24+/m1/s1 | | Definition date: | 2005-11-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-1-[(3,5-dimethylisoxazol-4-yl)carbamoyl]-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[(1S)-1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate |
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 | | 4QB | | Name: | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID | | Formula: | C27 H31 N5 O5 | | SMILES: | O=C(O)CC(C=O)NC(=O)C(CC)CCCCNC(=O)c1ccc(cc1)Nc2nc3ccccc3nc2 | | InChi: | InChI=1S/C27H31N5O5/c1-2-18(27(37)31-21(17-33)15-25(34)35)7-5-6-14-28-26(36)19-10-12-20(13-11-19)30-24-16-29-22-8-3-4-9-23(22)32-24/h3-4,8-13,16-18,21H,2,5-7,14-15H2,1H3,(H,28,36)(H,30,32)(H,31,37)(H,34,35)/t18-,21+/m1/s1 | | Definition date: | 2004-01-09 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-{[(2R)-2-ethyl-6-({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid |
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