Chem
J-GLOBAL ID：201207004552871031
Nikkaji number：J3.068.346C
Ac-L-Lys-N-Methyl-L-Leu-L-Val-N-methyl-L-Phe-L-Phe-NH2
Ac-L-Lys-N-メチル-L-Leu-L-Val-N-メチル-L-Phe-L-Phe-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： C39H59N7O6
Molecular formula furigana： C39-H59-N7-O6
Molecular weight： 721.944
InChI：
InChI=1S/C39H59N7O6/c1-25(2)22-32(45(6)38(51)30(42-27(5)47)20-14-15-21-40)37(50)44-34(26(3)4)39(52)46(7)33(24-29-18-12-9-13-19-29)36(49)43-31(35(41)48)23-28-16-10-8-11-17-28/h8-13,16-19,25-26,30-34H,14-15,20-24,40H2,1-7H3,(H2,41,48)(H,42,47)(H,43,49)(H,44,50)/t30-,31-,32-,33-,34-/m0/s1
InChI key：
SDIAHTLXFOCEBF-LJADHVKFSA-N
SMILES：
CC(C)C[C@H](N(C)C(=O)[C@H](CCCCN)NC(=O)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name (3)：
- Ac-L-Lys-N-メチル-L-Leu-L-Val-N-メチル-L-Phe-L-Phe-NH2
- (2S)-6-アミノ-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-カルバモイル-2-フェニルエチル]カルバモイル}-2-フェニルエチル](メチル)カルバモイル}-2-メチルプロピル]カルバモイル}-3-メチルブチル]-2-アセトアミド-N-メチルヘキサンアミド
- (2S)-6-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-phenylethyl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl]-2-acetamido-N-methylhexanamide
- Ac-L-Lys-N-Methyl-L-Leu-L-Val-N-methyl-L-Phe-L-Phe-NH2
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