Chem
J-GLOBAL ID：201107024018214037   Nikkaji number：J2.933.505B

MK-0893

N-(2-カルボキシエチル)-4-[(S)-1-[3-(3,5-ジクロロフェニル)-5-(6-メトキシナフタレン-2-イル)-1H-ピラゾール-1-イル]エチル]ベンズアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H27Cl2N3O4
Molecular formula furigana： C32-H27-CL2-N3-O4
Molecular weight： 588.490
InChI： InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1
InChI key： DNTVJEMGHBIUMW-IBGZPJMESA-N
SMILES： COc1ccc2cc(ccc2c1)c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(=O)O)c1cc(Cl)cc(Cl)c1
Systematic name  (3)：
  • N-(2-カルボキシエチル)-4-[(S)-1-[3-(3,5-ジクロロフェニル)-5-(6-メトキシナフタレン-2-イル)-1H-ピラゾール-1-イル]エチル]ベンズアミド
  • 3-({4-[(1S)-1-[3-(3,5-ジクロロフェニル)-5-(6-メトキシナフタレン-2-イル)-1H-ピラゾール-1-イル]エチル]フェニル}ホルムアミド)プロパン酸
  • 3-({4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl]phenyl}formamido)propanoic acid
Other name (2)：
  • N-(2-Carboxyethyl)-4-[(S)-1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalene-2-yl)-1H-pyrazole-1-yl]ethyl]benzamide
  • MK-0893
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