基本情報
- CAS
134527-87-0- 標準SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1- InChIKey
KSMBSRZMXQIWHU-OFAMWEBGSA-N- 分子式
- C44H66N8O8
- 平均分子量
- 835 g/mol
- 単同位体質量
- 834.50036109
名称と識別子
- 優先名称
- L-Histidinamide, N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl-N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, (1S-(1R*,2S*,3R*,4S*(1R*,2R*)))-
- IUPAC
- tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
名称と別名
134527-87-0CHEMBL298341L-Histidinamide, N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl-N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, (1S-(1R*,2S*,3R*,4S*(1R*,2R*)))-L-Histidinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-[[[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]hexyl]-, [1S-[1R*,2S*,3R*,4S*(1R*,2R*)]]-DTXSID50158782BDBM50000777N-(tert-Butoxycarbonyl)-L-phenylalanyl-N-[(4S,5R,6S,7R)-5,6-dihydroxy-2,8-dimethyl-7-{[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]carbamoyl}nonan-4-yl]-L-histidinamidetert-butyl N-[(1S)-1-benzyl-2-[[(1S)-2-[[(1S,2R,3S,4R)-2,3-dihydroxy-1-isobutyl-5-methyl-4-[[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]carbamoyl]hexyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate
データベース識別子
- CAS
134527-87-0
物性
構造計算による物性
- XLogP
- 4.4
- 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
- 24
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 1,360
関連反応
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