Chem
J-GLOBAL ID：201107070345252190   Nikkaji number：J2.954.028D

N-Benzylcarbamic acid 4-[[(3R)-7-cyano-1-(1-methyl-1H-imidazole-5-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3β-yl]methyl]phenyl ester

4-{[(3R)-7-シアノ-4-(4-メトキシベンゼンスルホニル)-1-[(1-メチル-1H-イミダゾール-5-イル)メチル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]メチル}フェニル N-ベンジルカルバマート
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： C37H36N6O5S
Molecular formula furigana： C37-H36-N6-O5-S
Molecular weight： 676.790
InChI： InChI=1S/C37H36N6O5S/c1-41-26-39-22-32(41)25-42-24-31(19-27-8-11-34(12-9-27)48-37(44)40-21-28-6-4-3-5-7-28)43(23-30-18-29(20-38)10-17-36(30)42)49(45,46)35-15-13-33(47-2)14-16-35/h3-18,22,26,31H,19,21,23-25H2,1-2H3,(H,40,44)/t31-/m1/s1
InChI key： ISPKWTLKQCPKQN-WJOKGBTCSA-N
SMILES： COc1ccc(cc1)S(=O)(=O)N1Cc2cc(ccc2N(Cc2cncn2C)C[C@H]1Cc1ccc(OC(=O)NCc2ccccc2)cc1)C#N
Systematic name  (3)：
  • N-ベンジルカルバミド酸4-[[(3R)-7-シアノ-1-(1-メチル-1H-イミダゾール-5-イルメチル)-4-[(4-メトキシフェニル)スルホニル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-3β-イル]メチル]フェニル
  • 4-{[(3R)-7-シアノ-4-(4-メトキシベンゼンスルホニル)-1-[(1-メチル-1H-イミダゾール-5-イル)メチル]-2,3,4,5-テトラヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]メチル}フェニル N-ベンジルカルバマート
  • 4-{[(3R)-7-cyano-4-(4-methoxybenzenesulfonyl)-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]methyl}phenyl N-benzylcarbamate
Other name (1)：
  • N-Benzylcarbamic acid 4-[[(3R)-7-cyano-1-(1-methyl-1H-imidazole-5-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3β-yl]methyl]phenyl ester
Thsaurus map：
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