Chem
J-GLOBAL ID:200907061258447912   Nikkaji number:J2.078.557H

(2S,3S)-2-(Benzhydrylideneamino)-3-(4-methylphenylsulfinylamino)-3-phenylpropionic acid ethyl ester

(2S,3S)-2-(ベンズヒドリリデンアミノ)-3-(4-メチルフェニルスルフィニルアミノ)-3-フェニルプロピオン酸エチル
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: C31H30N2O3S
Molecular formula furigana: C31-H30-N2-O3-S
Molecular weight: 510.650
InChI: InChI=1S/C31H30N2O3S/c1-3-36-31(34)30(32-28(24-13-7-4-8-14-24)25-15-9-5-10-16-25)29(26-17-11-6-12-18-26)33-37(35)27-21-19-23(2)20-22-27/h4-22,29-30,33H,3H2,1-2H3/t29-,30-,37?/m0/s1
InChI key: HXESXUNBKOLZFE-KLCUDZNTSA-N
SMILES: CCOC(=O)[C@@H](N=C(c1ccccc1)c1ccccc1)[C@@H](NS(=O)c1ccc(C)cc1)c1ccccc1
Systematic name  (3):
  • (2S,3S)-2-(ベンズヒドリリデンアミノ)-3-(4-メチルフェニルスルフィニルアミノ)-3-フェニルプロピオン酸エチル
  • エチル (2S,3S)-2-[(ジフェニルメチリデン)アミノ]-3-[(4-メチルベンゼンスルフィニル)アミノ]-3-フェニルプロパノアート
  • ethyl (2S,3S)-2-[(diphenylmethylidene)amino]-3-[(4-methylbenzenesulfinyl)amino]-3-phenylpropanoate
Other name (1):
  • (2S,3S)-2-(Benzhydrylideneamino)-3-(4-methylphenylsulfinylamino)-3-phenylpropionic acid ethyl ester
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