 | | TW8 | | Name: | 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde | | Formula: | C15 H14 N2 O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23 | | InChi: | InChI=1S/C15H14N2O3S/c18-11-12-5-7-13(8-6-12)21(19,20)17-10-9-16-14-3-1-2-4-15(14)17/h1-8,11,16H,9-10H2 | | Definition date: | 2021-01-14 | | Last modified: | 2024-09-27 | | Release date: | 2021-09-15 | | Identifier: | 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde |
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 | | LBX | | Name: | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline | | Formula: | C8 H11 N O5 | | SMILES: | O=C(CCO)C(N=CCC=O)C(=O)O | | InChi: | InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h3-4,7,11H,1-2,5H2,(H,13,14)/b9-3+/t7-/m0/s1 | | Definition date: | 2022-03-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-05-25 | | Identifier: | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline |
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 | | 1Z0 | | Name: | N-methyl-D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-L-prolinamide | | Formula: | C29 H35 N7 O5 S | | SMILES: | O=C(N1CCCC1C(=O)NC(C(=O)c2nc3ccc(cc3s2)C(=O)O)CCCNC(=[N@H])N)C(NC)Cc4ccccc4 | | InChi: | InChI=1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1 | | Synonyms: | RWJ-51438 | | Definition date: | 2008-08-15 | | Last modified: | 2024-09-27 | | Identifier: | N-methyl-D-phenylalanyl-N-[(2S)-5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-L-prolinamide |
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 | | LBZ | | Name: | (2~{S})-2-azanyl-6-benzamido-hexanoic acid | | Formula: | C13 H18 N2 O3 | | SMILES: | N[CH](CCCCNC(=O)c1ccccc1)C(O)=O | | InChi: | InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1 | | Definition date: | 2020-01-22 | | Last modified: | 2024-09-27 | | Release date: | 2020-11-18 | | Identifier: | (2~{S})-2-azanyl-6-benzamido-hexanoic acid |
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 | | MYA | | Name: | TETRADECANOYL-COA | | Formula: | C35 H62 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC | | InChi: | InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1 | | Synonyms: | MYRISTOYL-COA | | Definition date: | 2001-04-23 | | Last modified: | 2024-09-27 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name) |
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 | | QNT | | Name: | 3,6-dimethylcatechol cysteine | | Formula: | C11 H15 N O4 S | | SMILES: | Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O | | InChi: | InChI=1S/C11H15NO4S/c1-5-3-8(6(2)10(14)9(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1 | | Definition date: | 2020-07-08 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-23 | | Identifier: | (2~{R})-2-azanyl-3-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
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 | | OLD | | Name: | 3-[2-(4-bromophenyl)-2-oxoethyl]-L-histidine | | Formula: | C14 H14 Br N3 O3 | | SMILES: | O=C(c1ccc(Br)cc1)Cn2c(cnc2)CC(C(=O)O)N | | InChi: | InChI=1S/C14H14BrN3O3/c15-10-3-1-9(2-4-10)13(19)7-18-8-17-6-11(18)5-12(16)14(20)21/h1-4,6,8,12H,5,7,16H2,(H,20,21)/t12-/m0/s1 | | Definition date: | 2009-06-26 | | Last modified: | 2024-09-27 | | Release date: | 2012-10-12 | | Identifier: | 3-[2-(4-bromophenyl)-2-oxoethyl]-L-histidine |
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 | | TWE | | Name: | 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile | | Formula: | C14 H14 N2 O2 | | SMILES: | O=Cc1ccc(cc1)C(=O)N2CCC(CC2)C#N | | InChi: | InChI=1S/C14H14N2O2/c15-9-11-5-7-16(8-6-11)14(18)13-3-1-12(10-17)2-4-13/h1-4,10-11H,5-8H2 | | Definition date: | 2021-01-14 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile |
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 | | SNK | | Name: | (2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid | | Formula: | C8 H11 N3 O3 S | | SMILES: | CC(=O)Sc1nc[nH]c1C[CH](N)C(O)=O | | InChi: | InChI=1S/C8H11N3O3S/c1-4(12)15-7-6(10-3-11-7)2-5(9)8(13)14/h3,5H,2,9H2,1H3,(H,10,11)(H,13,14)/t5-/m1/s1 | | Definition date: | 2020-11-25 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | (2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid |
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 | | 1ZB | | Name: | N-[(1S)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide | | Formula: | C12 H14 N4 O2 | | SMILES: | [N-]=[N+]=CC(=O)C(NC(=O)CN)Cc1ccccc1 | | InChi: | InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1 | | Definition date: | 2009-03-11 | | Last modified: | 2024-09-27 | | Identifier: | N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]glycinamide |
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 | | UB4 | | Name: | (2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid | | Formula: | C11 H12 N2 O2 S | | SMILES: | C(O)(C(CCc2nc1ccccc1s2)N)=O | | InChi: | InChI=1S/C11H12N2O2S/c12-7(11(14)15)5-6-10-13-8-3-1-2-4-9(8)16-10/h1-4,7H,5-6,12H2,(H,14,15)/t7-/m0/s1 | | Definition date: | 2020-05-06 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-20 | | Identifier: | (2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid |
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 | | MYE | | Name: | N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE | | Formula: | C20 H29 Br N2 O4 | | SMILES: | Brc1ccc(cc1)COC(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C | | InChi: | InChI=1S/C20H29BrN2O4/c1-4-5-6-17(12-24)22-19(25)18(11-14(2)3)23-20(26)27-13-15-7-9-16(21)10-8-15/h7-10,12,14,17-18H,4-6,11,13H2,1-3H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1 | | Definition date: | 2004-03-12 | | Last modified: | 2024-09-27 | | Identifier: | N~2~-{[(4-bromobenzyl)oxy]carbonyl}-N-[(1S)-1-formylpentyl]-L-leucinamide |
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 | | SNM | | Name: | N,N-dimethyl-L-serine | | Formula: | C5 H11 N O3 | | SMILES: | CN(C)[CH](CO)C(O)=O | | InChi: | InChI=1S/C5H11NO3/c1-6(2)4(3-7)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1 | | Definition date: | 2017-12-12 | | Last modified: | 2024-09-27 | | Release date: | 2018-05-30 | | Identifier: | (2~{S})-2-(dimethylamino)-3-oxidanyl-propanoic acid |
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 | | P1K | | Name: | phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid | | Formula: | C6 H11 B F3 N4 O7 P S | | SMILES: | OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P](O)(O)=O | | InChi: | InChI=1S/C6H11BF3N4O7PS/c8-6(9,10)3-23(19,20)11-1-5-2-14(13-12-5)4-7(15)21-22(16,17)18/h2,11,15H,1,3-4H2,(H2,16,17,18) | | Definition date: | 2019-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-24 | | Identifier: | phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid |
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 | | QNX | | Name: | [(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate | | Formula: | C14 H22 N4 O9 P2 | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO[P](O)(O)=O)Cc2c[nH]cn2)c1O | | InChi: | InChI=1S/C14H22N4O9P2/c1-9-14(19)13(10(3-16-9)6-26-28(20,21)22)5-17-12(7-27-29(23,24)25)2-11-4-15-8-18-11/h3-4,8,12,17,19H,2,5-7H2,1H3,(H,15,18)(H2,20,21,22)(H2,23,24,25)/t12-/m0/s1 | | Definition date: | 2022-11-09 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-22 | | Identifier: | [(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate |
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 | | QNY | | Name: | O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine | | Formula: | C8 H16 N2 O7 | | SMILES: | O=C(O)C(N)C(OC(CC(C(O)=O)N)(O)O)C | | InChi: | InChI=1S/C8H16N2O7/c1-3(5(10)7(13)14)17-8(15,16)2-4(9)6(11)12/h3-5,15-16H,2,9-10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+/m1/s1 | | Definition date: | 2019-11-26 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-20 | | Identifier: | O-[(3S)-3-amino-3-carboxy-1,1-dihydroxypropyl]-L-threonine |
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 | | 1ZG | | Name: | N-(3-carboxypropanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-L-prolinamide | | Formula: | C22 H32 N3 O8 P | | SMILES: | O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2 | | InChi: | InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18+,20-/m0/s1 | | Definition date: | 2008-08-25 | | Last modified: | 2024-09-27 | | Identifier: | N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-2-phenyl-1-phosphonoethyl]-L-prolinamide |
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 | | SNN | | Name: | L-3-AMINOSUCCINIMIDE | | Formula: | C4 H6 N2 O2 | | SMILES: | O=C1NC(=O)C(N)C1 | | InChi: | InChI=1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)/t2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-aminopyrrolidine-2,5-dione |
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 | | UB6 | | Name: | (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide | | Formula: | C27 H32 N6 O3 S | | SMILES: | CCC(=O)NC1CCCC1NC(=O)c1sc2nccc3c2c1NC(=O)N3c1cnc(CC(C)C)cc1C | | InChi: | InChI=1S/C27H32N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h9-10,12-14,17-18H,5-8,11H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1 | | Definition date: | 2022-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-11-16 | | Identifier: | (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide |
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 | | PF5 | | Name: | 2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE | | Formula: | C9 H6 F5 N O2 | | SMILES: | Fc1c(c(F)c(F)c(F)c1F)CC(C(=O)O)N | | InChi: | InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1 | | Synonyms: | FLUORINATED PHENYLALANINE | | Definition date: | 2006-09-12 | | Last modified: | 2024-09-27 | | Identifier: | 2,3,4,5,6-pentafluoro-L-phenylalanine |
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 | | P1L | | Name: | S-PALMITOYL-L-CYSTEINE | | Formula: | C19 H37 N O3 S | | SMILES: | O=C(O)C(N)CSC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1 | | Definition date: | 2005-09-03 | | Last modified: | 2024-09-27 | | Identifier: | S-hexadecanoyl-L-cysteine |
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 | | 1ZN | | Name: | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid | | Formula: | C20 H29 N O3 | | SMILES: | O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C | | InChi: | InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1 | | Definition date: | 2008-12-11 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid |
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 | | PF7 | | Name: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid | | Formula: | C16 H18 N2 O2 | | SMILES: | O=C(O)N3CCC(Cc1cc2ccccc2nc1)CC3 | | InChi: | InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20) | | Definition date: | 2008-07-22 | | Last modified: | 2024-09-27 | | Identifier: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid |
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 | | MYK | | Name: | N~6~-tetradecanoyl-L-lysine | | Formula: | C20 H40 N2 O3 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCCCCCCCCCCCC | | InChi: | InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1 | | Synonyms: | N6-myristoyl lysine | | Definition date: | 2011-10-17 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-tetradecanoyl-L-lysine |
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 | | QO2 | | Name: | 4,5-dimethylcatechol cysteine | | Formula: | C11 H15 N O4 S | | SMILES: | Cc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1C | | InChi: | InChI=1S/C11H15NO4S/c1-5-3-8(13)9(14)10(6(5)2)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1 | | Definition date: | 2020-07-08 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-23 | | Identifier: | (2~{R})-2-azanyl-3-[2,3-dimethyl-5,6-bis(oxidanyl)phenyl]sulfanyl-propanoic acid |
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