Chem
J-GLOBAL ID：200907013361611866
Nikkaji number：J669.844A
N-[[4-[4-(2-Methyl-1H-imidazol-1-yl)butyl]phenyl]acetyl]-L-Ser-L-Lys-(2-cyclohexylethyl)NH2
N-[[4-[4-(2-メチル-1H-イミダゾール-1-イル)ブチル]フェニル]アセチル]-L-Ser-L-Lys-(2-シクロヘキシルエチル)NH2
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
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
Molecular formula： C33H52N6O4
Molecular formula furigana： C33-H52-N6-O4
Molecular weight： 596.817
InChI：
InChI=1S/C33H52N6O4/c1-25-35-20-22-39(25)21-8-6-11-27-13-15-28(16-14-27)23-31(41)37-30(24-40)33(43)38-29(12-5-7-18-34)32(42)36-19-17-26-9-3-2-4-10-26/h13-16,20,22,26,29-30,40H,2-12,17-19,21,23-24,34H2,1H3,(H,36,42)(H,37,41)(H,38,43)/t29-,30-/m0/s1
InChI key：
WHLPIOSHBKQGHA-KYJUHHDHSA-N
SMILES：
Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1
Systematic name (3)：
- N-[[4-[4-(2-メチル-1H-イミダゾール-1-イル)ブチル]フェニル]アセチル]-L-Ser-L-Lys-(2-シクロヘキシルエチル)NH2
- (2S)-6-アミノ-N-(2-シクロヘキシルエチル)-2-[(2S)-3-ヒドロキシ-2-(2-{4-[4-(2-メチル-1H-イミダゾール-1-イル)ブチル]フェニル}アセトアミド)プロパンアミド]ヘキサンアミド
- (2S)-6-amino-N-(2-cyclohexylethyl)-2-[(2S)-3-hydroxy-2-(2-{4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl}acetamido)propanamido]hexanamide
- N-[[4-[4-(2-Methyl-1H-imidazol-1-yl)butyl]phenyl]acetyl]-L-Ser-L-Lys-(2-cyclohexylethyl)NH2
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