Chem
J-GLOBAL ID：200907065232468259   Nikkaji number：J1.216.261H

Nα-(tert-Butylaminocarbonyl)-L-Trp-[(4aS,5R)-octahydro-2-benzyl-1,3-dioxo-1H-pyrido[1,2-c]pyrimidine-5-yl]NH2

Nα-(tert-ブチルアミノカルボニル)-L-Trp-[(4aS,5R)-オクタヒドロ-2-ベンジル-1,3-ジオキソ-1H-ピリド[1,2-c]ピリミジン-5-イル]NH2
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： C31H38N6O4
Molecular formula furigana： C31-H38-N6-O4
Molecular weight： 558.683
InChI： InChI=1S/C31H38N6O4/c1-31(2,3)35-29(40)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(39)33-24-14-9-15-36-26(24)17-27(38)37(30(36)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,39)(H2,34,35,40)/t24-,25+,26+/m1/s1
InChI key： JQMXXJDAKTTXOB-ZNZIZOMTSA-N
SMILES： CC(C)(C)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Systematic name  (3)：
  • Nα-(tert-ブチルアミノカルボニル)-L-Trp-[(4aS,5R)-オクタヒドロ-2-ベンジル-1,3-ジオキソ-1H-ピリド[1,2-c]ピリミジン-5-イル]NH2
  • (2S)-N-[(4aS,5R)-2-ベンジル-1,3-ジオキソ-オクタヒドロ-1H-ピリド[1,2-c]ピリミジン-5-イル]-2-[(tert-ブチルカルバモイル)アミノ]-3-(1H-インドール-3-イル)プロパンアミド
  • (2S)-N-[(4aS,5R)-2-benzyl-1,3-dioxo-octahydro-1H-pyrido[1,2-c]pyrimidin-5-yl]-2-[(tert-butylcarbamoyl)amino]-3-(1H-indol-3-yl)propanamide
Other name (1)：
  • Nα-(tert-Butylaminocarbonyl)-L-Trp-[(4aS,5R)-octahydro-2-benzyl-1,3-dioxo-1H-pyrido[1,2-c]pyrimidine-5-yl]NH2
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