Chem
J-GLOBAL ID：201707005452479057   Nikkaji number：J3.552.321I

4-[2-[(S)-1-[[3-[2-(1H-Tetrazole-1-yl)-5-chlorophenyl]propenoyl]amino]-2-phenylethyl]-4-pyridyl]phenylcarbamic acid methyl ester

4-[2-[(S)-1-[[3-[2-(1H-テトラゾール-1-イル)-5-クロロフェニル]プロペノイル]アミノ]-2-フェニルエチル]-4-ピリジル]フェニルカルバミド酸メチル
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： C31H26ClN7O3
Molecular formula furigana： C31-H26-CL-N7-O3
Molecular weight： 580.050
InChI： InChI=1S/C31H26ClN7O3/c1-42-31(41)35-26-11-7-22(8-12-26)23-15-16-33-27(19-23)28(17-21-5-3-2-4-6-21)36-30(40)14-9-24-18-25(32)10-13-29(24)39-20-34-37-38-39/h2-16,18-20,28H,17H2,1H3,(H,35,41)(H,36,40)/t28-/m0/s1
InChI key： ZBUQQUJRHVSUJI-NDEPHWFRSA-N
SMILES： COC(=O)Nc1ccc(cc1)c1ccnc(c1)[C@H](Cc1ccccc1)NC(=O)C=Cc1cc(Cl)ccc1n1cnnn1
Systematic name  (3)：
  • 4-[2-[(S)-1-[[3-[2-(1H-テトラゾール-1-イル)-5-クロロフェニル]プロペノイル]アミノ]-2-フェニルエチル]-4-ピリジル]フェニルカルバミド酸メチル
  • メチル N-(4-{2-[(1S)-1-{3-[5-クロロ-2-(1H-1,2,3,4-テトラゾール-1-イル)フェニル]プロパ-2-エンアミド}-2-フェニルエチル]ピリジン-4-イル}フェニル)カルバマート
  • methyl N-(4-{2-[(1S)-1-{3-[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamido}-2-phenylethyl]pyridin-4-yl}phenyl)carbamate
Other name (1)：
  • 4-[2-[(S)-1-[[3-[2-(1H-Tetrazole-1-yl)-5-chlorophenyl]propenoyl]amino]-2-phenylethyl]-4-pyridyl]phenylcarbamic acid methyl ester
Thsaurus map：
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