基本情報
- CAS
165315-14-0- 標準SMILES
Cc1ncc(COC(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N(C)Cc2csc(C(C)C)n2)C(C)C)s1- InChIKey
IBTJZDRNPNNZIO-UYDQTSAYSA-N- 分子式
- C38H50N6O5S2
- 平均分子量
- 735 g/mol
- 単同位体質量
- 734.32841106
名称と識別子
- 優先名称
- 2,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,9R*,11R*))-
- IUPAC
- (2-methyl-1,3-thiazol-5-yl)methyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
名称と別名
165315-14-02,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,9R*,11R*))-2,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, [5S-(5R*,8R*,9R*,11R*)]-SCHEMBL7187545DTXSID10167911(2-methylthiazol-5-yl)methyl N-[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamateN-[(2S,3S,5S)-3-Hydroxy-5-({[(2-methyl-1,3-thiazol-5-yl)methoxy]carbonyl}amino)-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
データベース識別子
- CAS
165315-14-0- PubChem CID
- 482944
- DTXSID
DTXSID10167911
物性
構造計算による物性
- XLogP
- 6.4
- 極性表面積
- 202 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 18
- 重原子数
- 51
- 形式電荷
- 0
- 複雑度
- 1,080
関連反応
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