Chem
J-GLOBAL ID：200907051029962867   Nikkaji number：J1.000.888C

L-054522

L-054522
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： C35H47N7O5
Molecular formula furigana： C35-H47-N7-O5
Molecular weight： 645.805
InChI： InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28?,30+/m0/s1
InChI key： WFCIXKAZBUIFTR-GQMPWXHXSA-N
SMILES： C[C@H]([C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)NC(CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Systematic name  (3)：
  • 2-[[(2R,3S)-2-[[4-[(2-オキソ-2,3-ジヒドロ-1H-ベンゾイミダゾール)-1-イル]ピペリジノ]カルボニルアミノ]-3-(1H-インドール-3-イル)ブチリル]アミノ]-6-アミノヘキサン酸tert-ブチル
  • tert-ブチル 6-アミノ-2-[(2R,3S)-3-(1H-インドール-3-イル)-2-{[4-(2-オキソ-2,3-ジヒドロ-1H-1,3-ベンゾジアゾール-1-イル)ピペリジン-1-カルボニル]アミノ}ブタンアミド]ヘキサノアート
  • tert-butyl 6-amino-2-[(2R,3S)-3-(1H-indol-3-yl)-2-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidine-1-carbonyl]amino}butanamido]hexanoate
Other name (2)：
  • 2-[[(2R,3S)-2-[[4-[(2-Oxo-2,3-dihydro-1H-benzimidazole)-1-yl]piperidino]carbonylamino]-3-(1H-indole-3-yl)butyryl]amino]-6-aminohexanoic acid tert-butyl ester
  • L-054522
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