| 4KY | Name: | (4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline | Formula: | C15 H25 N O4 | SMILES: | C(=C)CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O | InChi: | InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1 | Definition date: | 2015-04-01 | Last modified: | 2023-11-03 | Release date: | 2015-07-29 | Identifier: | (4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline |
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| 4L0 | Name: | (4R)-1-acetyl-4-(hexyloxy)-L-proline | Formula: | C13 H23 N O4 | SMILES: | N1(CC(CC1C(=O)O)OCCCCCC)C(C)=O | InChi: | InChI=1S/C13H23NO4/c1-3-4-5-6-7-18-11-8-12(13(16)17)14(9-11)10(2)15/h11-12H,3-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1 | Synonyms: | (4R)-1-acetyl-4-(hex-5-en-1-yloxy)-L-proline (bound form) | Definition date: | 2015-04-02 | Last modified: | 2023-11-03 | Release date: | 2015-07-29 | Identifier: | (4R)-1-acetyl-4-(hexyloxy)-L-proline |
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| 4LJ | Name: | 1.7.6 3-bromanylpropan-1-amine | Formula: | C3 H8 Br N | SMILES: | NCCCBr | InChi: | InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2 | Definition date: | 2015-04-10 | Last modified: | 2023-11-03 | Release date: | 2015-09-16 | Identifier: | 3-bromanylpropan-1-amine |
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| 4LT | Name: | (2R)-2-fluoropropanoic acid | Formula: | C3 H5 F O2 | SMILES: | C(C(C)F)(O)=O | InChi: | InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1 | Definition date: | 2015-12-29 | Last modified: | 2023-11-03 | Release date: | 2016-11-02 | Identifier: | (2R)-2-fluoropropanoic acid |
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| 4LZ | Name: | O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine | Formula: | C11 H15 N4 O3 | SMILES: | C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O | InChi: | InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1 | Definition date: | 2015-04-14 | Last modified: | 2023-11-03 | Release date: | 2015-05-06 | Identifier: | O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine |
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| 4MM | Name: | N,N,N-trimethylmethionine | Formula: | C8 H18 N O2 S | SMILES: | CSCCC([N+](C)(C)C)C(=O)O | InChi: | InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1 | Synonyms: | (1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium | Definition date: | 2011-06-04 | Last modified: | 2023-11-03 | Identifier: | (1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium |
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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: | 2023-11-03 | 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: | 2023-11-03 | 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: | 2023-11-03 | Release date: | 2016-03-02 | Identifier: | 3-(1-benzothiophen-3-yl)-L-alanine |
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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: | 2023-11-03 | Release date: | 2015-05-20 | Identifier: | 4-(acryloylamino)-L-phenylalanine |
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| H3I | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid | Formula: | C20 H24 N12 O6 | SMILES: | N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O | InChi: | InChI=1S/C20H24N12O6/c21-8(19(35)36)1-2-31(20(37)30-16-11-15(25-4-23-11)26-6-27-16)3-9-12(33)13(34)18(38-9)32-7-29-10-14(22)24-5-28-17(10)32/h4-9,12-13,18,33-34H,1-3,21H2,(H,35,36)(H2,22,24,28)(H2,23,25,26,27,30,37)/t8-,9+,12-,13?,18+/m0/s1 | Definition date: | 2023-07-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid |
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| H5M | Name: | TRANS-3-HYDROXY-5-METHYLPROLINE | Formula: | C6 H11 N O3 | SMILES: | O=C(O)C1NC(C)CC1O | InChi: | InChI=1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | (3S,5S)-3-hydroxy-5-methyl-L-proline |
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| H7V | Name: | 3-cyclohexyl-N-methyl-L-alanine | Formula: | C10 H19 N O2 | SMILES: | N(C(C(O)=O)CC1CCCCC1)C | InChi: | InChI=1S/C10H19NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h8-9,11H,2-7H2,1H3,(H,12,13)/t9-/m0/s1 | Definition date: | 2018-06-13 | Last modified: | 2023-11-03 | Release date: | 2018-10-17 | Identifier: | 3-cyclohexyl-N-methyl-L-alanine |
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| H9D | Name: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol | Formula: | C22 H29 N11 O7 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCNc4ncnc5n(cnc45)[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O | InChi: | InChI=1S/C22H29N11O7/c23-17-11-19(28-5-26-17)32(7-30-11)21-15(37)13(35)9(39-21)3-24-1-2-25-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)10(4-34)40-22/h5-10,13-16,21-22,24,34-38H,1-4H2,(H2,23,26,28)(H,25,27,29) | Definition date: | 2023-07-21 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol |
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| HAO | Name: | {[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid | Formula: | C10 H11 N3 O5 | SMILES: | O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1 | InChi: | InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17) | Definition date: | 2010-07-01 | Last modified: | 2023-11-03 | Identifier: | {[3-(hydrazinylcarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid |
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| HAQ | Name: | 5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID | Formula: | C13 H14 N2 O3 | SMILES: | O=C(O)C2N3c1c(cccc1C2)CCC(N)C3=O | InChi: | InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1 | Definition date: | 1999-10-14 | Last modified: | 2023-11-03 | Identifier: | (2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid |
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| HAR | Name: | N-OMEGA-HYDROXY-L-ARGININE | Formula: | C6 H14 N4 O3 | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NO | InChi: | InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | N~5~-(N-hydroxycarbamimidoyl)-L-ornithine |
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| HCI | Name: | HYDROCINNAMIC ACID | Formula: | C9 H10 O2 | SMILES: | O=C(O)CCc1ccccc1 | InChi: | InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | Synonyms: | 3PP | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 3-phenylpropanoic acid |
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| HCL | Name: | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid | Formula: | C8 H8 Cl N O4 | SMILES: | N[CH](C(O)=O)c1cc(O)cc(O)c1Cl | InChi: | InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1 | Definition date: | 2012-03-05 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid |
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| HD0 | Name: | (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid | Formula: | C10 H12 N4 O4 | SMILES: | O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2 | InChi: | InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1 | Definition date: | 2010-11-01 | Last modified: | 2023-11-03 | Release date: | 2022-06-29 | Identifier: | (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid |
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| HF2 | Name: | (2R)-2-hydroxy-3-phenylpropanoic acid | Formula: | C9 H10 O3 | SMILES: | O=C(O)C(O)Cc1ccccc1 | InChi: | InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1 | Definition date: | 2010-07-12 | Last modified: | 2023-11-03 | Identifier: | (2R)-2-hydroxy-3-phenylpropanoic acid |
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| HFA | Name: | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | Formula: | C9 H10 O3 | SMILES: | O=C(O)C(O)Cc1ccccc1 | InChi: | InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-hydroxy-3-phenylpropanoic acid |
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| HG7 | Name: | (2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide | Formula: | C13 H21 N3 O2 | SMILES: | CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1 | InChi: | InChI=1S/C13H21N3O2/c1-16(2)8-4-7-15-13(18)12(14)10-5-3-6-11(17)9-10/h3,5-6,9,12,17H,4,7-8,14H2,1-2H3,(H,15,18)/t12-/m0/s1 | Definition date: | 2012-03-05 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide |
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| 1HB | Name: | (4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide | Formula: | C7 H16 N2 O2 | SMILES: | O=C(N(C)C)CCC(N)CO | InChi: | InChI=1S/C7H16N2O2/c1-9(2)7(11)4-3-6(8)5-10/h6,10H,3-5,8H2,1-2H3/t6-/m0/s1 | Synonyms: | N,N-dimethyl-L-glutamine aldehyde, bound form | Definition date: | 2013-02-04 | Last modified: | 2023-11-03 | Release date: | 2013-02-15 | Identifier: | (4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide |
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| 1HD | Name: | N-[(2S)-2-amino-3-hydroxypropyl]acetamide | Formula: | C5 H12 N2 O2 | SMILES: | O=C(NCC(N)CO)C | InChi: | InChI=1S/C5H12N2O2/c1-4(9)7-2-5(6)3-8/h5,8H,2-3,6H2,1H3,(H,7,9)/t5-/m0/s1 | Definition date: | 2013-02-05 | Last modified: | 2023-11-03 | Release date: | 2013-02-15 | Identifier: | N-[(2S)-2-amino-3-hydroxypropyl]acetamide |
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