Noa-Val-CVA-Thr-Amp
基本情報
- CAS
146363-74-8- 標準SMILES
CC(C)[C@H](C[C@H](O)C(CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc12)C(C)C)C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)O- InChIKey
BLVQJUBWGQNMPI-AQGHBBIASA-N- 分子式
- C42H59N5O7
- 平均分子量
- 745.9 g/mol
- 単同位体質量
- 745.44144924
名称と識別子
- 優先名称
- Noa-Val-CVA-Thr-Amp
- IUPAC
- (2S,4S)-6-cyclohexyl-4-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-5-[[(2S)-3-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]butanoyl]amino]-2-propan-2-ylhexanamide
名称と別名
Noa-Val-CVA-Thr-Amp146363-74-8Cyclohexanehexanamide, gamma-hydroxy-N-(2-hydroxy-1-(((2-pyridinylmethyl)amino)carbonyl)propyl)-alpha-(1-methylethyl)-delta-((3-methyl-2-(((1-naphthalenyloxy)acetyl)amino)-1-oxobutyl)amino)-, (aS-(N(1R*,2S*),aR*,gR*,dR*(R*)))-DTXSID20932819(2S,4S)-6-cyclohexyl-4-hydroxy-N-[(1S)-2-hydroxy-1-(2-pyridylmethylcarbamoyl)propyl]-2-isopropyl-5-[[(2S)-3-methyl-2-[[2-(1-naphthyloxy)acetyl]amino]butanoyl]amino]hexanamide(2S,4S)-6-Cyclohexyl-N-[(2S)-1,3-dihydroxy-1-{[(pyridin-2-yl)methyl]imino}butan-2-yl]-4-hydroxy-5-{[(2S)-1-hydroxy-2-({1-hydroxy-2-[(naphthalen-1-yl)oxy]ethylidene}amino)-3-methylbutylidene]amino}-2-(propan-2-yl)hexanimidic acid6-Cyclohexyl-N-(1,3-dihydroxy-1-{[(pyridin-2-yl)methyl]imino}butan-2-yl)-4-hydroxy-5-{[1-hydroxy-2-({1-hydroxy-2-[(naphthalen-1-yl)oxy]ethylidene}amino)-3-methylbutylidene]amino}-2-(propan-2-yl)hexanimidic acidCyclohexanehexanamide, .gamma.-hydroxy-N-[2-hydroxy-1-[[(2-pyridinylmethyl)amino]carbonyl]propyl]-.alpha.-(1-methylethyl)-.delta.-[[3-methyl-2-[[(1-naphthalenyloxy)acetyl]amino]-1-oxobutyl]amino]-, [aS-[N(1R*,2S*),aR*,gR*,dR*(R*)]]-
データベース識別子
- CAS
146363-74-8- PubChem CID
- 5480799
- DTXSID
DTXSID20932819
物性
構造計算による物性
- XLogP
- 6.3
- 極性表面積
- 179 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 8
- 回転可能結合数
- 19
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,180
関連反応
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