Chem
J-GLOBAL ID:200907017644328430   Nikkaji number:J1.861.265H

N-[(1S)-1-(2-Thiazolylcarbonyl)-4-guanidinobutyl]-4-(benzylsulfonyl)-7-oxohexahydro-1H-1,4-diazepine-1-acetamide

N-[(1S)-1-(2-チアゾリルカルボニル)-4-グアニジノブチル]-4-(ベンジルスルホニル)-7-オキソヘキサヒドロ-1H-1,4-ジアゼピン-1-アセトアミド
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: C23H31N7O5S2
Molecular formula furigana: C23-H31-N7-O5-S2
Molecular weight: 549.670
InChI: InChI=1S/C23H31N7O5S2/c24-23(25)27-9-4-7-18(21(33)22-26-10-14-36-22)28-19(31)15-29-12-13-30(11-8-20(29)32)37(34,35)16-17-5-2-1-3-6-17/h1-3,5-6,10,14,18H,4,7-9,11-13,15-16H2,(H,28,31)(H4,24,25,27)/t18-/m0/s1
InChI key: LLMLAEGMCACBLY-SFHVURJKSA-N
SMILES: NC(=N)NCCC[C@H](NC(=O)CN1CCN(CCC1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1
Systematic name  (3):
  • N-[(1S)-1-(2-チアゾリルカルボニル)-4-グアニジノブチル]-4-(ベンジルスルホニル)-7-オキソヘキサヒドロ-1H-1,4-ジアゼピン-1-アセトアミド
  • N-[(2S)-5-カルバムイミドアミド-1-オキソ-1-(1,3-チアゾール-2-イル)ペンタン-2-イル]-2-(7-オキソ-4-フェニルメタンスルホニル-1,4-ジアゼパン-1-イル)アセトアミド
  • N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-(7-oxo-4-phenylmethanesulfonyl-1,4-diazepan-1-yl)acetamide
Other name (1):
  • N-[(1S)-1-(2-Thiazolylcarbonyl)-4-guanidinobutyl]-4-(benzylsulfonyl)-7-oxohexahydro-1H-1,4-diazepine-1-acetamide
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