Chem
J-GLOBAL ID：200907048198848860
Nikkaji number：J330.417E
N-(5-Aminovaleryl)-L-Phe-L-Phe-D-Pro-L-Leu-L-Met-NH2
N-(5-アミノバレリル)-L-Phe-L-Phe-D-Pro-L-Leu-L-Met-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： C39H57N7O6S
Molecular formula furigana： C39-H57-N7-O6-S
Molecular weight： 751.990
InChI：
InChI=1S/C39H57N7O6S/c1-26(2)23-30(36(49)43-29(35(41)48)19-22-53-3)44-38(51)33-17-12-21-46(33)39(52)32(25-28-15-8-5-9-16-28)45-37(50)31(24-27-13-6-4-7-14-27)42-34(47)18-10-11-20-40/h4-9,13-16,26,29-33H,10-12,17-25,40H2,1-3H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)/t29-,30-,31-,32-,33+/m0/s1
InChI key：
BWXRCFNZBHEVIO-PMUGGPHNSA-N
SMILES：
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(=O)N
Systematic name (4)：
- N-(5-アミノペンタノイル)-L-Phe-L-Phe-D-Pro-L-Leu-L-Met-NH2
- N-(5-アミノバレリル)-L-Phe-L-Phe-D-Pro-L-Leu-L-Met-NH2
- (2S)-2-{[(2R)-1-[(2S)-2-[(2S)-2-(5-アミノペンタンアミド)-3-フェニルプロパンアミド]-3-フェニルプロパノイル]ピロリジン-2-イル]ホルムアミド}-N-[(1S)-1-カルバモイル-3-(メチルスルファニル)プロピル]-4-メチルペンタンアミド
- (2S)-2-{[(2R)-1-[(2S)-2-[(2S)-2-(5-aminopentanamido)-3-phenylpropanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]-4-methylpentanamide
- N-(5-Aminovaleryl)-L-Phe-L-Phe-D-Pro-L-Leu-L-Met-NH2
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