 | MT2 | Name: | [(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium | Formula: | C7 H16 N O2 S | SMILES: | O=C(O)C(N)CC[S+](C)CC | InChi: | InChI=1S/C7H15NO2S/c1-3-11(2)5-4-6(8)7(9)10/h6H,3-5,8H2,1-2H3/p+1/t6-,11+/m0/s1 | Synonyms: | S-ethyl-L-Methionine | Definition date: | 2008-02-18 | Last modified: | 2024-09-27 | Identifier: | [(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium |
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 | P9R | Name: | [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C25 H42 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O)[CH](O)[S+](O)(O)=O | InChi: | InChI=1S/C25H40N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h9,15-21,24,31H,3-8,10-14H2,1-2H3,(H2-2,27,28,30,32,33,34,35)/q-1/p+2/t17-,18-,19+,20-,21-,24+/m0/s1 | Definition date: | 2022-05-26 | Last modified: | 2024-09-27 | Release date: | 2022-06-22 | Identifier: | [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
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 | P9S | Name: | dihydroxypropylcysteine | Formula: | C6 H13 N O4 S | SMILES: | N[CH](CSC[CH](O)CO)C(O)=O | InChi: | InChI=1S/C6H13NO4S/c7-5(6(10)11)3-12-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)/t4-,5+/m1/s1 | Definition date: | 2016-07-26 | Last modified: | 2024-09-27 | Release date: | 2017-03-22 | Identifier: | (2~{R})-2-azanyl-3-[(2~{R})-2,3-bis(oxidanyl)propyl]sulfanyl-propanoic acid |
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 | QVA | Name: | (2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid | Formula: | C7 H11 N O7 S | SMILES: | NC(CSC(C(O)=O)C(O)C(O)=O)C(O)=O | InChi: | InChI=1S/C7H11NO7S/c8-2(5(10)11)1-16-4(7(14)15)3(9)6(12)13/h2-4,9H,1,8H2,(H,10,11)(H,12,13)(H,14,15)/t2-,3-,4-/m0/s1 | Definition date: | 2019-12-20 | Last modified: | 2024-09-27 | Release date: | 2020-12-30 | Identifier: | (2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid |
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 | Q2A | Name: | 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride | Formula: | C25 H24 F I N6 O4 S2 | SMILES: | C(C2CN(Cc1cccc(S(=O)(F)=O)c1)CCC2)n4c3ncnc(c3nc4Sc5c(cc6c(c5)OCO6)I)N | InChi: | InChI=1S/C25H24FIN6O4S2/c26-39(34,35)17-5-1-3-15(7-17)10-32-6-2-4-16(11-32)12-33-24-22(23(28)29-13-30-24)31-25(33)38-21-9-20-19(8-18(21)27)36-14-37-20/h1,3,5,7-9,13,16H,2,4,6,10-12,14H2,(H2,28,29,30)/t16-/m0/s1 | Definition date: | 2019-09-10 | Last modified: | 2024-09-27 | Release date: | 2020-02-19 | Identifier: | 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride |
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 | OTT | Name: | (2E,4E,6E)-octa-2,4,6-trienoic acid | Formula: | C8 H10 O2 | SMILES: | O=C(O)C=CC=CC=CC | InChi: | InChI=1S/C8H10O2/c1-2-3-4-5-6-7-8(9)10/h2-7H,1H3,(H,9,10)/b3-2+,5-4+,7-6+ | Synonyms: | 2,4,6-OCTATRIENOIC ACID | Definition date: | 2009-12-08 | Last modified: | 2024-09-27 | Identifier: | (2E,4E,6E)-octa-2,4,6-trienoic acid |
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 | P9U | Name: | (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid | Formula: | C41 H44 Cl N3 O6 | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3ccc(NC(=O)C(Cc4ccccc4)Cc5ccccc5)c(Cl)c3 | InChi: | InChI=1S/C41H44ClN3O6/c42-34-27-33(21-22-35(34)43-38(46)32(23-28-13-5-1-6-14-28)24-29-15-7-2-8-16-29)51-41(50)45-36(25-30-17-9-3-10-18-30)39(47)44-37(40(48)49)26-31-19-11-4-12-20-31/h1-2,4-8,11-16,19-22,27,30,32,36-37H,3,9-10,17-18,23-26H2,(H,43,46)(H,44,47)(H,45,50)(H,48,49)/t36-,37-/m0/s1 | Synonyms: | (2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid | Definition date: | 2022-10-04 | Last modified: | 2024-09-27 | Release date: | 2023-10-04 | Identifier: | (2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid |
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 | UUR | Name: | 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C22 H33 N3 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCCSc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C22H33N3O8S2/c1-14(2)12-17(25-22(29)33-10-11-34-16-6-4-3-5-7-16)20(27)24-18(21(28)35(30,31)32)13-15-8-9-23-19(15)26/h3-7,14-15,17-18,21,28H,8-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t15-,17-,18-,21-/m0/s1 | Definition date: | 2022-08-26 | Last modified: | 2024-09-27 | Release date: | 2022-09-07 | Identifier: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid |
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 | RNG | Name: | (6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT | Formula: | C11 H16 N2 O4 | SMILES: | O=C1N2N(C(=O)CCC1)C(CCC2)CC=O | InChi: | InChI=1S/C11H16N2O4/c14-9-4-1-5-10(15)13-8(7-11(16)17)3-2-6-12(9)13/h8H,1-7H2,(H,16,17)/t8-/m1/s1 | Synonyms: | FUSED RING FRAGMENT OF INHIBITOR | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1R)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]acetaldehyde |
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 | QVE | Name: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid | Formula: | C12 H10 N2 O5 | SMILES: | Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O | InChi: | InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18) | Definition date: | 2016-05-24 | Last modified: | 2024-09-27 | Release date: | 2017-03-01 | Identifier: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid |
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 | QHR | Name: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid | Formula: | C37 H32 N4 O4 | SMILES: | Cn1nc(COc2ccc3ccncc3c2)c(c1C)c4cccc5c(CCCOc6cccc7ccccc67)c([nH]c45)C(O)=O | InChi: | InChI=1S/C37H32N4O4/c1-23-34(32(40-41(23)2)22-45-27-16-15-24-17-18-38-21-26(24)20-27)31-12-6-11-29-30(36(37(42)43)39-35(29)31)13-7-19-44-33-14-5-9-25-8-3-4-10-28(25)33/h3-6,8-12,14-18,20-21,39H,7,13,19,22H2,1-2H3,(H,42,43) | Definition date: | 2022-11-01 | Last modified: | 2024-09-27 | Release date: | 2023-02-22 | Identifier: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid |
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 | N7K | Name: | ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Formula: | C29 H25 N7 O | SMILES: | CCC(=O)Nc1cccc(c1)c2c[nH]c3ncnc(Nc4ccc5n(Cc6ccccc6)ncc5c4)c23 | InChi: | InChI=1S/C29H25N7O/c1-2-26(37)34-22-10-6-9-20(13-22)24-16-30-28-27(24)29(32-18-31-28)35-23-11-12-25-21(14-23)15-33-36(25)17-19-7-4-3-5-8-19/h3-16,18H,2,17H2,1H3,(H,34,37)(H2,30,31,32,35) | Definition date: | 2019-11-14 | Last modified: | 2024-09-27 | Release date: | 2020-09-30 | Identifier: | ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
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 | Q2E | Name: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal | Formula: | C12 H14 N2 O2 S | SMILES: | CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O | InChi: | InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1 | Definition date: | 2020-05-07 | Last modified: | 2024-09-27 | Release date: | 2021-05-19 | Identifier: | (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid |
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 | R99 | Name: | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | Formula: | C19 H28 N2 O5 | SMILES: | O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1ccccc1 | InChi: | InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16+/m1/s1 | Synonyms: | WRR-99 | Definition date: | 2000-05-03 | Last modified: | 2024-09-27 | Identifier: | (3S)-3-hydroxy-4-({(2R)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid |
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 | OTY | Name: | 2-hydroxy-L-tyrosine | Formula: | C9 H11 N O4 | SMILES: | O=C(O)C(N)Cc1ccc(O)cc1O | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7,11-12H,3,10H2,(H,13,14)/t7-/m0/s1 | Definition date: | 2006-11-21 | Last modified: | 2024-09-27 | Identifier: | 2-hydroxy-L-tyrosine |
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 | UUU | Name: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | Formula: | C7 H15 N O5 | SMILES: | C1(C(C(C(C(C1CO)N)O)O)O)O | InChi: | InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4-,5-,6-,7-/m0/s1 | Definition date: | 2016-04-13 | Last modified: | 2024-09-27 | Release date: | 2017-05-10 | Identifier: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
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 | TPX | Name: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | Formula: | C14 H19 N O5 S | SMILES: | O=S(=O)(c1ccc(cc1)C)NCC(C(=O)O)C(C=O)CC | InChi: | InChI=1S/C14H19NO5S/c1-3-11(9-16)13(14(17)18)8-15-21(19,20)12-6-4-10(2)5-7-12/h4-7,9,11,13,15H,3,8H2,1-2H3,(H,17,18)/t11-,13-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2S,3S)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid |
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 | TPY | Name: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | Formula: | C13 H16 N2 O7 S | SMILES: | O=S(=O)(NCC(C(=O)O)C(C=O)CC)c1ccc([N+]([O-])=O)cc1 | InChi: | InChI=1S/C13H16N2O7S/c1-2-9(8-16)12(13(17)18)7-14-23(21,22)11-5-3-10(4-6-11)15(19)20/h3-6,8-9,12,14H,2,7H2,1H3,(H,17,18)/t9-,12-/m1/s1 | Definition date: | 2000-06-09 | Last modified: | 2024-09-27 | Identifier: | (2S,3S)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid |
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 | 1KA | Name: | (2-hydroxyethoxy)acetaldehyde | Formula: | C4 H8 O3 | SMILES: | O=CCOCCO | InChi: | InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h1,6H,2-4H2 | Definition date: | 2012-12-25 | Last modified: | 2024-09-27 | Release date: | 2013-02-15 | Identifier: | (2-hydroxyethoxy)acetaldehyde |
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 | OTZ | Name: | 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid | Formula: | C8 H7 N3 O3 S | SMILES: | NCc1occ(n1)c2scc(n2)C(O)=O | InChi: | InChI=1S/C8H7N3O3S/c9-1-6-10-4(2-14-6)7-11-5(3-15-7)8(12)13/h2-3H,1,9H2,(H,12,13) | Definition date: | 2018-06-04 | Last modified: | 2024-09-27 | Release date: | 2019-01-30 | Identifier: | 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid |
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 | OU0 | Name: | 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one | Formula: | C10 H13 N O3 | SMILES: | CC(C)C1=CC(=O)ON1C(=O)C2CC2 | InChi: | InChI=1S/C10H13NO3/c1-6(2)8-5-9(12)14-11(8)10(13)7-3-4-7/h5-7H,3-4H2,1-2H3 | Definition date: | 2022-09-20 | Last modified: | 2024-09-27 | Release date: | 2023-09-20 | Identifier: | 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one |
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 | UUW | Name: | N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide | Formula: | C31 H46 N4 O3 | SMILES: | CC(C)C[CH](NC(=O)CCCCN(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2 | InChi: | InChI=1S/C31H46N4O3/c1-25(2)22-28(33-29(36)18-11-12-21-34(3)4)31(38)32-20-13-19-30(37)35(23-26-14-7-5-8-15-26)24-27-16-9-6-10-17-27/h5-10,14-17,25,28H,11-13,18-24H2,1-4H3,(H,32,38)(H,33,36)/t28-/m0/s1 | Synonyms: | (2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide | Definition date: | 2021-03-21 | Last modified: | 2024-09-27 | Release date: | 2021-09-08 | Identifier: | (2~{S})-~{N}-[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]-2-[5-(dimethylamino)pentanoylamino]-4-methyl-pentanamide |
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 | 1KC | Name: | (3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid | Formula: | C8 H14 O3 S | SMILES: | CSCCC=C[CH](O)CC(O)=O | InChi: | InChI=1S/C8H14O3S/c1-12-5-3-2-4-7(9)6-8(10)11/h2,4,7,9H,3,5-6H2,1H3,(H,10,11)/b4-2-/t7-/m1/s1 | Definition date: | 2013-03-04 | Last modified: | 2024-09-27 | Release date: | 2014-03-05 | Identifier: | (3S)-7-methylsulfanyl-3-oxidanyl-hept-4-enoic acid |
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 | Q2J | Name: | 3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid | Formula: | C22 H21 I N6 O4 S2 | SMILES: | C(NCc1cc(ccc1)S(O)=O)CCn3c(nc2c(N)ncnc23)Sc5cc4OCOc4cc5I | InChi: | InChI=1S/C22H21IN6O4S2/c23-15-8-16-17(33-12-32-16)9-18(15)34-22-28-19-20(24)26-11-27-21(19)29(22)6-2-5-25-10-13-3-1-4-14(7-13)35(30)31/h1,3-4,7-9,11,25H,2,5-6,10,12H2,(H,30,31)(H2,24,26,27) | Definition date: | 2019-09-10 | Last modified: | 2024-09-27 | Release date: | 2020-02-19 | Identifier: | 3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid |
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 | N7P | Name: | 1-ACETYL-L-PROLINE | Formula: | C7 H11 N O3 | SMILES: | OC(=O)C1N(C(=O)C)CCC1 | InChi: | InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1 | Synonyms: | N-ACETYLPROLINE | Definition date: | 2003-02-21 | Last modified: | 2024-09-27 | Identifier: | 1-acetyl-L-proline |
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