Chem
J-GLOBAL ID：201507070651950967   Nikkaji number：J3.332.153H

KYT-36

N1-[(S)-5-アミノ-1-[1,2-ジオキソ-2-(ベンジルアミノ)エチル]ペンチル]-N2-(ベンジルオキシカルボニル)-N5-(メチルフェニルアミノ)-L-グルタミンアミド
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： C34H42N6O6
Molecular formula furigana： C34-H42-N6-O6
Molecular weight： 630.746
InChI： InChI=1S/C34H42N6O6/c1-40(27-17-9-4-10-18-27)39-30(41)21-20-29(38-34(45)46-24-26-15-7-3-8-16-26)32(43)37-28(19-11-12-22-35)31(42)33(44)36-23-25-13-5-2-6-14-25/h2-10,13-18,28-29H,11-12,19-24,35H2,1H3,(H,36,44)(H,37,43)(H,38,45)(H,39,41)/t28-,29-/m0/s1
InChI key： XDVSKHGOOXWVDB-VMPREFPWSA-N
SMILES： CN(NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc1ccccc1)c1ccccc1
Systematic name  (3)：
  • N1-[(S)-5-アミノ-1-[1,2-ジオキソ-2-(ベンジルアミノ)エチル]ペンチル]-N2-(ベンジルオキシカルボニル)-N5-(メチルフェニルアミノ)-L-グルタミンアミド
  • ベンジル N-[(1S)-1-{[(2S)-6-アミノ-1-(ベンジルカルバモイル)-1-オキソヘキサン-2-イル]カルバモイル}-3-(N'-メチル-N'-フェニルヒドラジンカルボニル)プロピル]カルバマート
  • benzyl N-[(1S)-1-{[(2S)-6-amino-1-(benzylcarbamoyl)-1-oxohexan-2-yl]carbamoyl}-3-(N'-methyl-N'-phenylhydrazinecarbonyl)propyl]carbamate
Other name (3)：
  • N1-[(S)-5-Amino-1-[1,2-dioxo-2-(benzylamino)ethyl]pentyl]-N2-(benzyloxycarbonyl)-N5-(methylphenylamino)-L-glutaminamide
  • KYT-36
  • Lys-gingipain
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