基本情報
- CAS
129252-79-5- 標準SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
SSDHDCHQNPWZLQ-DNOAQWIPSA-N- 分子式
- C40H54N4O5
- 平均分子量
- 670.9 g/mol
- 単同位体質量
- 670.40942084
名称と識別子
- 優先名称
- L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-
- IUPAC
- (2R,4S,5S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-6-phenylhexanamide
名称と別名
tBu-CH2C(O)-CH2Ph-Leu-Phe-NH2129252-79-5L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-6-Phenyl-5-neopentylamido-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanoneL-Phenylalaninamide, N-[5-[(3,3-dimethyl-1-oxobutyl)amino]-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl]-L-leucyl-, [2R-(2R*,4S*,5S*)]-Hydroxyethylene deriv. 3BDBM752CHEMBL3143353DTXSID50156127(2R,4S,5S)-2-benzyl-N-[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]-5-(3,3-dimethylbutanamido)-4-hydroxy-6-phenylhexanamide(2R,4S,5S)-N-[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-2-benzyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-6-phenyl-hexanamideN-[(2R,4S,5S)-2-Benzyl-5-(3,3-dimethylbutanamido)-4-hydroxy-6-phenylhexanoyl]-L-leucyl-L-phenylalaninamide
データベース識別子
- CAS
129252-79-5- PubChem CID
- 5479250
- DTXSID
DTXSID50156127- ChEMBL
物性
構造計算による物性
- XLogP
- 6.2
- 極性表面積
- 151 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 5
- 回転可能結合数
- 19
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,020
関連反応
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