Chem
J-GLOBAL ID:200907049145816032   Nikkaji number:J1.112.113F

N-(1H-Benzimidazole-5-ylcarbonyl)-3-cyclohexyl-L-Ala-L-Arg-L-Phe-NH2

N-(1H-ベンゾイミダゾール-5-イルカルボニル)-3-シクロヘキシル-L-Ala-L-Arg-L-Phe-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: C32H43N9O4
Molecular formula furigana: C32-H43-N9-O4
Molecular weight: 617.755
InChI: InChI=1S/C32H43N9O4/c33-28(42)26(16-20-8-3-1-4-9-20)40-30(44)24(12-7-15-36-32(34)35)39-31(45)27(17-21-10-5-2-6-11-21)41-29(43)22-13-14-23-25(18-22)38-19-37-23/h1,3-4,8-9,13-14,18-19,21,24,26-27H,2,5-7,10-12,15-17H2,(H2,33,42)(H,37,38)(H,39,45)(H,40,44)(H,41,43)(H4,34,35,36)/t24-,26-,27-/m0/s1
InChI key: WGTPXYNAIPBNGK-URORMMCBSA-N
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc2[nH]cnc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name  (3):
  • N-(1H-ベンゾイミダゾール-5-イルカルボニル)-3-シクロヘキシル-L-Ala-L-Arg-L-Phe-NH2
  • (2S)-2-[(2S)-2-[(1H-1,3-ベンゾジアゾール-5-イル)ホルムアミド]-3-シクロヘキシルプロパンアミド]-5-カルバムイミドアミド-N-[(1S)-1-カルバモイル-2-フェニルエチル]ペンタンアミド
  • (2S)-2-[(2S)-2-[(1H-1,3-benzodiazol-5-yl)formamido]-3-cyclohexylpropanamido]-5-carbamimidamido-N-[(1S)-1-carbamoyl-2-phenylethyl]pentanamide
Other name (1):
  • N-(1H-Benzimidazole-5-ylcarbonyl)-3-cyclohexyl-L-Ala-L-Arg-L-Phe-NH2
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