Chem
J-GLOBAL ID：201807020926140117   Nikkaji number：J3.715.039H

(4R,5S)-1-Tosyl-3-phenyl-5-(p-tolyl)-7-oxo-4,5,6,7-tetrahydro-1H-1,2-diazepine-4-carboxylic acid ethyl ester

(4R,5S)-1-トシル-3-フェニル-5-(p-トリル)-7-オキソ-4,5,6,7-テトラヒドロ-1H-1,2-ジアゼピン-4-カルボン酸エチル
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： C28H28N2O5S
Molecular formula furigana： C28-H28-N2-O5-S
Molecular weight： 504.600
InChI： InChI=1S/C28H28N2O5S/c1-4-35-28(32)26-24(21-14-10-19(2)11-15-21)18-25(31)30(29-27(26)22-8-6-5-7-9-22)36(33,34)23-16-12-20(3)13-17-23/h5-17,24,26H,4,18H2,1-3H3/t24-,26-/m1/s1
InChI key： VALYCDLKOJLMKA-AOYPEHQESA-N
SMILES： CCOC(=O)[C@@H]1[C@H](CC(=O)N(N=C1c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1
Systematic name  (3)：
  • (4R,5S)-1-トシル-3-フェニル-5-(p-トリル)-7-オキソ-4,5,6,7-テトラヒドロ-1H-1,2-ジアゼピン-4-カルボン酸エチル
  • エチル (4R,5S)-1-(4-メチルベンゼンスルホニル)-5-(4-メチルフェニル)-7-オキソ-3-フェニル-4,5,6,7-テトラヒドロ-1H-1,2-ジアゼピン-4-カルボキシラート
  • ethyl (4R,5S)-1-(4-methylbenzenesulfonyl)-5-(4-methylphenyl)-7-oxo-3-phenyl-4,5,6,7-tetrahydro-1H-1,2-diazepine-4-carboxylate
Other name (1)：
  • (4R,5S)-1-Tosyl-3-phenyl-5-(p-tolyl)-7-oxo-4,5,6,7-tetrahydro-1H-1,2-diazepine-4-carboxylic acid ethyl ester
Thsaurus map：
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