Chem
J-GLOBAL ID:200907024932367587   Nikkaji number:J1.435.436K

N-[5-[[(3aS,3aβ,6aβ)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole]-4α-yl]pentanoyl]-D-Phe-L-Pro-L-Arg-chloromethane

N-[5-[[(3aS,3aβ,6aβ)-ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール]-4α-イル]ペンタノイル]-D-Phe-L-Pro-L-Arg-クロロメタン
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: C31H45ClN8O5S
Molecular formula furigana: C31-H45-CL-N8-O5-S
Molecular weight: 677.260
InChI: InChI=1S/C31H45ClN8O5S/c32-17-24(41)20(10-6-14-35-30(33)34)37-28(43)23-11-7-15-40(23)29(44)21(16-19-8-2-1-3-9-19)36-26(42)13-5-4-12-25-27-22(18-46-25)38-31(45)39-27/h1-3,8-9,20-23,25,27H,4-7,10-18H2,(H,36,42)(H,37,43)(H4,33,34,35)(H2,38,39,45)/t20-,21+,22-,23-,25-,27-/m0/s1
InChI key: IQUCTYAYGQHWQB-RVABMWNNSA-N
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)CCl
Systematic name  (3):
  • N-[5-[[(3aS,3aβ,6aβ)-ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール]-4α-イル]ペンタノイル]-D-Phe-L-Pro-L-Arg-クロロメタン
  • (2S)-1-[(2R)-2-{5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンタンアミド}-3-フェニルプロパノイル]-N-[(3S)-6-カルバムイミドアミド-1-クロロ-2-オキソヘキサン-3-イル]ピロリジン-2-カルボキサミド
  • (2S)-1-[(2R)-2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3-phenylpropanoyl]-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
Other name (1):
  • N-[5-[[(3aS,3aβ,6aβ)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole]-4α-yl]pentanoyl]-D-Phe-L-Pro-L-Arg-chloromethane
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