Chem
J-GLOBAL ID：200907040795717902
Nikkaji number：J330.413B
N-(5-Aminovaleryl)-L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2
N-(5-アミノバレリル)-L-Phe-L-Phe-Gly-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： C36H53N7O6S
Molecular formula furigana： C36-H53-N7-O6-S
Molecular weight： 711.920
InChI：
InChI=1S/C36H53N7O6S/c1-24(2)20-28(35(48)42-27(33(38)46)17-19-50-3)41-32(45)23-39-34(47)29(21-25-12-6-4-7-13-25)43-36(49)30(22-26-14-8-5-9-15-26)40-31(44)16-10-11-18-37/h4-9,12-15,24,27-30H,10-11,16-23,37H2,1-3H3,(H2,38,46)(H,39,47)(H,40,44)(H,41,45)(H,42,48)(H,43,49)/t27-,28-,29-,30-/m0/s1
InChI key：
IXIPTARVRKPIBS-KRCBVYEFSA-N
SMILES：
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=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-Gly-L-Leu-L-Met-NH2
- N-(5-アミノバレリル)-L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2
- (2S)-2-{2-[(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-フェニルプロパンアミド]アセトアミド}-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-{2-[(2S)-2-[(2S)-2-(5-aminopentanamido)-3-phenylpropanamido]-3-phenylpropanamido]acetamido}-N-[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]-4-methylpentanamide
- N-(5-Aminovaleryl)-L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2
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