 | | OAO | | Name: | 2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C18 H17 Cl N4 O3 | | SMILES: | Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1 | | InChi: | InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide |
|
 | | P4R | | Name: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione | | Formula: | C20 H14 Cl N3 O3 | | SMILES: | Clc1ccc2OCCC3(NC(=O)N(C3=O)c3cncc4ccccc43)c2c1 | | InChi: | InChI=1S/C20H14ClN3O3/c21-13-5-6-17-15(9-13)20(7-8-27-17)18(25)24(19(26)23-20)16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8H2,(H,23,26)/t20-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione |
|
 | | PJJ | | Name: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid | | Formula: | C19 H23 N O3 | | SMILES: | O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2 | | InChi: | InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1 | | Definition date: | 2010-08-20 | | Last modified: | 2023-11-03 | | Identifier: | (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid |
|
 | | RYB | | Name: | 1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C30 H32 Cl N5 O4 S | | SMILES: | CN(C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl)cc32)S(=O)(=O)CC2(C#N)CC2)C1=O | | InChi: | InChI=1S/C30H32ClN5O4S/c1-34(2)11-12-40-24-6-4-21-15-33-16-27(25(21)14-24)36-10-9-30(28(36)37)19-35(17-22-3-5-23(31)13-26(22)30)41(38,39)20-29(18-32)7-8-29/h3-6,13-16H,7-12,17,19-20H2,1-2H3/t30-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
|
 | | NV9 | | Name: | 2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide | | Formula: | C19 H15 Cl N2 O | | SMILES: | O=C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C19H15ClN2O/c20-16-8-4-5-14(11-16)12-19(23)22-18-13-21-10-9-17(18)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide |
|
 | | PYA | | Name: | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | | Formula: | C15 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3 | | InChi: | InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3-(1,10-phenanthrolin-2-yl)-L-alanine |
|
 | | T7H | | Name: | 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid | | Formula: | C7 H13 N O4 S | | SMILES: | OC(=O)CNCCSCCC(=O)O | | InChi: | InChI=1S/C7H13NO4S/c9-6(10)1-3-13-4-2-8-5-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12) | | Definition date: | 2022-07-19 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-24 | | Identifier: | 3-({2-[(carboxymethyl)amino]ethyl}sulfanyl)propanoic acid |
|
 | | NVA | | Name: | NORVALINE | | Formula: | C5 H11 N O2 | | SMILES: | O=C(O)C(N)CCC | | InChi: | InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | L-norvaline |
|
 | | NGX | | Name: | (2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol | | Formula: | C11 H12 Cl N3 O | | SMILES: | OC(Cc1cccc(Cl)c1)Cn1cncn1 | | InChi: | InChI=1S/C11H12ClN3O/c12-10-3-1-2-9(4-10)5-11(16)6-15-8-13-7-14-15/h1-4,7-8,11,16H,5-6H2/t11-/m0/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol |
|
 | | OAR | | Name: | N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE | | Formula: | C6 H16 N4 O | | SMILES: | [N@H]=C(NCCCC(N)CO)N | | InChi: | InChI=1S/C6H16N4O/c7-5(4-11)2-1-3-10-6(8)9/h5,11H,1-4,7H2,(H4,8,9,10)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 1-[(4S)-4-amino-5-hydroxypentyl]guanidine |
|
 | | VO8 | | Name: | 5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile | | Formula: | C29 H23 N3 O4 | | SMILES: | N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O | | InChi: | InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile |
|
 | | OAS | | Name: | O-ACETYLSERINE | | Formula: | C5 H9 N O4 | | SMILES: | O=C(OCC(N)C(=O)O)C | | InChi: | InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 | | Definition date: | 2000-02-01 | | Last modified: | 2023-11-03 | | Identifier: | O-acetyl-L-serine |
|
 | | RYH | | Name: | 4-(4-aminocarbonylphenoxy)benzoic acid | | Formula: | C14 H11 N O4 | | SMILES: | NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1 | | InChi: | InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18) | | Definition date: | 2023-04-05 | | Last modified: | 2023-11-03 | | Release date: | 2023-04-12 | | Identifier: | 4-(4-aminocarbonylphenoxy)benzoic acid |
|
 | | 03E | | Name: | 1-aminocycloheptanecarboxylic acid | | Formula: | C8 H15 N O2 | | SMILES: | O=C(O)C1(N)CCCCCC1 | | InChi: | InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11) | | Definition date: | 2011-08-14 | | Last modified: | 2023-11-03 | | Identifier: | 1-aminocycloheptanecarboxylic acid |
|
 | | TMD | | Name: | (6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIMETHYL-THREONINE | | Formula: | C10 H21 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(CCCC)C | | InChi: | InChI=1S/C10H21NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 4-butyl-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid |
|
 | | 5PG | | Name: | (2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid | | Formula: | C9 H11 N O3 | | SMILES: | O=C(O)C(NC)c1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m0/s1 | | Synonyms: | N-METHYL-4-HYDROXY-PHENYLGLYCINE | | Definition date: | 2010-07-29 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-(4-hydroxyphenyl)(methylamino)ethanoic acid |
|
 | | VOI | | Name: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide | | Formula: | C20 H19 N3 O3 | | SMILES: | CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N | | InChi: | InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide |
|
 | | PJX | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C20 H18 Cl N3 O | | SMILES: | Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H18ClN3O/c1-24-9-8-16(17-10-14(21)6-7-19(17)24)20(25)23-18-12-22-11-13-4-2-3-5-15(13)18/h2-7,10-12,16H,8-9H2,1H3,(H,23,25)/t16-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide |
|
 | | VOL | | Name: | L-VALINOL | | Formula: | C5 H13 N O | | SMILES: | OCC(N)C(C)C | | InChi: | InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1 | | Definition date: | 2002-06-26 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-3-methylbutan-1-ol |
|
 | | 03O | | Name: | 4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid | | Formula: | C15 H18 N6 O3 | | SMILES: | O=C(O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C | | InChi: | InChI=1S/C15H18N6O3/c1-21-10(6-17-9-4-2-8(3-5-9)14(23)24)7-18-12-11(21)13(22)20-15(16)19-12/h2-5,10,17H,6-7H2,1H3,(H,23,24)(H4,16,18,19,20,22)/t10-/m0/s1 | | Synonyms: | 5-methyl tetrahydropteroic acid | | Definition date: | 2011-11-04 | | Last modified: | 2023-11-03 | | Identifier: | 4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid |
|
 | | PYR | | Name: | PYRUVIC ACID | | Formula: | C3 H4 O3 | | SMILES: | O=C(C(=O)O)C | | InChi: | InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 2-oxopropanoic acid |
|
 | | V9M | | Name: | (3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium | | Formula: | C15 H32 N O2 | | SMILES: | C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O | | InChi: | InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1 | | Definition date: | 2020-07-21 | | Last modified: | 2023-11-03 | | Release date: | 2020-09-16 | | Identifier: | (3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium |
|
 | | YYA | | Name: | 2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid | | Formula: | C11 H19 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(CC=C/C=C)C | | InChi: | InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1 | | Definition date: | 2010-11-19 | | Last modified: | 2023-11-03 | | Identifier: | 2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid |
|
 | | VOU | | Name: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile | | Formula: | C22 H21 N3 O3 | | SMILES: | O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1 | | InChi: | InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2 | | Definition date: | 2023-09-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile |
|
 | | 5PV | | Name: | 5-PHENYLVALERIC ACID | | Formula: | C11 H14 O2 | | SMILES: | O=C(O)CCCCc1ccccc1 | | InChi: | InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 5-phenylpentanoic acid |
|
