基本情報
- CAS
165315-01-5- 標準SMILES
CC(C)[C@H](NC(=O)OCc1csc(N2CCOCC2)n1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1- InChIKey
BGDNDPKTTTWGLX-XGKFQTDJSA-N- 分子式
- C37H46N6O7S2
- 平均分子量
- 750.9 g/mol
- 単同位体質量
- 750.28694017
名称と識別子
- 優先名称
- thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-3-methyl-2-[(2-morpholinothiazol-4-yl)methoxycarbonylamino]butanoyl]amino]-5-phenyl-pentyl]carbamate
- IUPAC
- (2-morpholin-4-yl-1,3-thiazol-4-yl)methyl N-[(2S)-1-[[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
名称と別名
165315-01-52-Oxa-4,7,12-triazatridecan-13-oic acid, 10-hydroxy-5-(1-methylethyl)-1-(2-(4-morpholinyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-2-Oxa-4,7,12-triazatridecan-13-oic acid, 10-hydroxy-5-(1-methylethyl)-1-[2-(4-morpholinyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-SCHEMBL7176941DTXSID40937068BGDNDPKTTTWGLX-XGKFQTDJSA-Nthiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-3-methyl-2-[(2-morpholinothiazol-4-yl)methoxycarbonylamino]butanoyl]amino]-5-phenyl-pentyl]carbamate(2S)-N-[(2S,4S,5S)-4-Hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-1,6-diphenylhexan-2-yl]-2-[(hydroxy{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methoxy}methylidene)amino]-3-methylbutanimidic acid(2s,3s,5s)-5-(n-(n-((2-(4-morpholinyl)-4-thiazolyl)methoxycarbonyl)valinyl)amino)-2-(n-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexaneN-[4-Hydroxy-5-({hydroxy[(1,3-thiazol-5-yl)methoxy]methylidene}amino)-1,6-diphenylhexan-2-yl]-2-[(hydroxy{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methoxy}methylidene)amino]-3-methylbutanimidic acid
データベース識別子
- CAS
165315-01-5- PubChem CID
- 482932
- DTXSID
DTXSID40937068
物性
構造計算による物性
- XLogP
- 5.4
- 極性表面積
- 221 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 12
- 回転可能結合数
- 19
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,090
関連反応
1 件
化合物ノート
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