| YPZ | Name: | 3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine | Formula: | C15 H15 N3 O4 | SMILES: | O=C2C=C(O)C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N | InChi: | InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1 | Definition date: | 2013-04-12 | Last modified: | 2023-11-03 | Release date: | 2013-04-24 | Identifier: | 3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine |
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| PBF | Name: | PARA-(BENZOYL)-PHENYLALANINE | Formula: | C16 H15 N O3 | SMILES: | O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2 | InChi: | InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1 | Definition date: | 2000-02-22 | Last modified: | 2023-11-03 | Identifier: | 4-(phenylcarbonyl)-L-phenylalanine |
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| ZTG | Name: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine | Formula: | C18 H30 Cl N O4 Si | SMILES: | Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O | InChi: | InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1 | Definition date: | 2023-03-30 | Last modified: | 2023-11-03 | Release date: | 2023-06-21 | Identifier: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine |
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| PQ6 | Name: | (4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C20 H18 Cl N3 O2 | SMILES: | Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m0/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| 0A1 | Name: | O-methyl-L-tyrosine | Formula: | C10 H13 N O3 | SMILES: | O=C(O)C(N)Cc1ccc(OC)cc1 | InChi: | InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1 | Definition date: | 2007-11-09 | Last modified: | 2023-11-03 | Identifier: | O-methyl-L-tyrosine |
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| TSQ | Name: | 4-(trimethylsilyl)-L-phenylalanine | Formula: | C12 H19 N O2 Si | SMILES: | c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C | InChi: | InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1 | Definition date: | 2019-02-04 | Last modified: | 2023-11-03 | Release date: | 2020-09-09 | Identifier: | 4-(trimethylsilyl)-L-phenylalanine |
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| KEO | Name: | e(R)-beta-lysyl-hydroxylysine | Formula: | C12 H26 N4 O4 | SMILES: | NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O | InChi: | InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1 | Definition date: | 2017-10-05 | Last modified: | 2023-11-03 | Release date: | 2017-11-22 | Identifier: | (2~{S},4~{S})-2-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-hexanoic acid |
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| VVE | Name: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile | Formula: | C25 H19 Cl2 N3 O4 | SMILES: | N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1c2ccccc2N(C(=O)CC)C1=O | InChi: | InChI=1S/C25H19Cl2N3O4/c1-2-24(31)30-21-6-4-3-5-20(21)29(25(30)32)9-10-33-23-14-17(26)7-8-22(23)34-19-12-16(15-28)11-18(27)13-19/h3-8,11-14H,2,9-10H2,1H3 | Definition date: | 2023-09-19 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile |
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| XAW | Name: | [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone | Formula: | C21 H28 Cl N3 O | SMILES: | O=C(N1CCN(CC1)c1cc(Cl)ccc1N)C12CC3CC(C1)CC(C3)C2 | InChi: | InChI=1S/C21H28ClN3O/c22-17-1-2-18(23)19(10-17)24-3-5-25(6-4-24)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13,23H2/t14-,15+,16-,21- | Definition date: | 2022-11-08 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | [(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone |
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| ZTT | Name: | (1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one | Formula: | C26 H28 N2 O4 | SMILES: | C[CH]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12 | InChi: | InChI=1S/C26H28N2O4/c1-17-23-7-5-21(15-19(23)9-11-27(3)25(17)29)31-13-14-32-22-6-8-24-18(2)26(30)28(4)12-10-20(24)16-22/h5-12,15-18H,13-14H2,1-4H3 | Synonyms: | (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | Definition date: | 2023-07-25 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (1~{R})-7-[2-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one |
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| Q5C | Name: | N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide | Formula: | C15 H16 N4 O2 | SMILES: | O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1 | InChi: | InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21) | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide |
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| SZF | Name: | 1-methoxy-N-methyl-L-tryptophan | Formula: | C13 H16 N2 O3 | SMILES: | O=C(O)C(NC)Cc1cn(OC)c2ccccc21 | InChi: | InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1 | Definition date: | 2022-07-13 | Last modified: | 2023-11-03 | Release date: | 2023-05-24 | Identifier: | 1-methoxy-N-methyl-L-tryptophan |
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| S5L | Name: | (4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C29 H26 Cl N5 O3 | SMILES: | CC(=O)Nc1ccc(cc1)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C29H26ClN5O3/c1-18(36)32-22-8-10-23(11-9-22)33-28(37)17-35-15-20-6-7-21(30)12-25(20)26(16-35)29(38)34-27-14-31-13-19-4-2-3-5-24(19)27/h2-14,26H,15-17H2,1H3,(H,32,36)(H,33,37)(H,34,38)/t26-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| 0AF | Name: | 7-hydroxy-L-tryptophan | Formula: | C11 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1cccc(O)c1nc2 | InChi: | InChI=1S/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)/t8-/m0/s1 | Definition date: | 2007-11-11 | Last modified: | 2023-11-03 | Identifier: | 7-hydroxy-L-tryptophan |
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| VVN | Name: | N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide | Formula: | C21 H21 N3 O3 | SMILES: | CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(cc12)C#N | InChi: | InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3 | Definition date: | 2023-09-19 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide |
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| OI4 | Name: | (4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C16 H15 Cl N2 O2 | SMILES: | Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1 | Definition date: | 2023-08-17 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| Q5K | Name: | (2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide | Formula: | C19 H16 F N3 O4 S | SMILES: | OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1 | InChi: | InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide |
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| KF2 | Name: | [(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid | Formula: | C16 H26 N O3 P | SMILES: | CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O | InChi: | InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1 | Definition date: | 2019-05-16 | Last modified: | 2023-11-03 | Release date: | 2019-12-18 | Identifier: | [(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid |
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| NO0 | Name: | 2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide | Formula: | C19 H14 N2 O | SMILES: | C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C19H14N2O/c1-2-14-6-5-7-15(10-14)11-19(22)21-18-13-20-12-16-8-3-4-9-17(16)18/h1,3-10,12-13H,11H2,(H,21,22) | Definition date: | 2023-08-16 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide |
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| O2R | Name: | 2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide | Formula: | C18 H21 Cl N2 O2 | SMILES: | O=C(Nc1cnccc1C)Cc1cc(Cl)ccc1OCCCC | InChi: | InChI=1S/C18H21ClN2O2/c1-3-4-9-23-17-6-5-15(19)10-14(17)11-18(22)21-16-12-20-8-7-13(16)2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22) | Definition date: | 2023-08-16 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide |
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| Q5R | Name: | 4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one | Formula: | C20 H19 N3 O2 | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1 | InChi: | InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24) | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one |
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| ZBZ | Name: | S-(phenylcarbonyl)-L-cysteine | Formula: | C10 H11 N O3 S | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1 | InChi: | InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1 | Definition date: | 2010-02-09 | Last modified: | 2023-11-03 | Identifier: | S-benzoyl-L-cysteine |
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| OIE | Name: | 2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide | Formula: | C16 H12 Cl N3 O | SMILES: | O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21 | InChi: | InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21) | Definition date: | 2023-08-17 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
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| 0AR | Name: | N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide | Formula: | C8 H16 N4 O3 | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NC(=O)C | InChi: | InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1 | Definition date: | 2009-07-10 | Last modified: | 2023-11-03 | Identifier: | N~5~-(N-acetylcarbamimidoyl)-L-ornithine |
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| ZUK | Name: | 5-pyrimidin-2-yl-D-norvaline | Formula: | C9 H13 N3 O2 | SMILES: | O=C(O)C(N)CCCc1ncccn1 | InChi: | InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1 | Definition date: | 2009-07-31 | Last modified: | 2023-11-03 | Identifier: | 5-pyrimidin-2-yl-D-norvaline |
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