L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tryptophyl-N-(2-hydroxy-4-((2-((2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)amino)-1-(2-methylpropyl)-4-oxobutyl)-, stereoisomer
基本情報
- CAS
91291-35-9- 標準SMILES
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(C)C- InChIKey
OBRHZWCYAVPXND-AJUYTZQHSA-N- 分子式
- C44H64N6O10
- 平均分子量
- 837 g/mol
- 単同位体質量
- 836.46839226
名称と識別子
- 優先名称
- L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tryptophyl-N-(2-hydroxy-4-((2-((2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)amino)-1-(2-methylpropyl)-4-oxobutyl)-, stereoisomer
- IUPAC
- methyl (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]-6-methylheptanoyl]amino]propanoyl]amino]-6-methylheptanoate
名称と別名
Cbz-Trp-Val-Sta-Ala-Sta-OMe91291-35-9L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tryptophyl-N-(2-hydroxy-4-((2-((2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)amino)-1-(2-methylpropyl)-4-oxobutyl)-, stereoisomerCHEMBL3142784Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tryptophan)-, methyl esterPepstatin A, 1-[N-[(phenylmethoxy)carbonyl]-L-tryptophan]-, methyl esterL-Valinamide, N-[(phenylmethoxy)carbonyl]-L-tryptophyl-N-[2-hydroxy-4-[[2-[[2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl]amino]-1-methyl-2-oxoethyl]amino]-1-(2-methylpropyl)-4-oxobutyl]-, stereoisomerCHEMBL275483DTXSID00238482BDBM500241634-[2-(4-{2-[2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-3-methyl-butyrylamino}-3-hydroxy-6-methyl-heptanoylamino)-propionylamino]-3-hydroxy-6-methyl-heptanoic acid methyl estermethyl (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methyl-heptanoate
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 237 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 10
- 回転可能結合数
- 25
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 1,390
関連反応
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