12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-
基本情報
- CAS
165315-21-9- 標準SMILES
CC(C)c1nc(CCOC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1- InChIKey
QMADZRJIMKMMAK-BBXFGWPUSA-N- 分子式
- C37H47N5O6S2
- 平均分子量
- 721.9 g/mol
- 単同位体質量
- 721.29677622
名称と識別子
- 優先名称
- 12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-
- IUPAC
- 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl N-[(2S)-1-[[(2S,3S,5S)-3-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
165315-21-912-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,5R*,6R*,9R*))-12-Oxa-2,7,10-triazatetradecanoic acid, 5-hydroxy-9-(1-methylethyl)-14-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [3S-(3R*,5R*,6R*,9R*)]-SCHEMBL7185153DTXSID10167916QMADZRJIMKMMAK-BBXFGWPUSA-N(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy) carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino )-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1 .6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4-thiazolyl)ethoxy)carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-2-(N-(N-((2-(2-Isopropyl-4thiazolyl)ethoxy)carbonyl)valinyl)amino)-5-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexaneN-[(2S,3S,5S)-3-Hydroxy-1,6-diphenyl-5-({[(1,3-thiazol-5-yl)methoxy]carbonyl}amino)hexan-2-yl]-N~2~-({2-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethoxy}carbonyl)-L-valinamide
名称をさらに表示
thiazol-5-ylmethyl N-[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-2-[2-(2-isopropylthiazol-4-yl)ethoxycarbonylamino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
データベース識別子
- CAS
165315-21-9- PubChem CID
- 482951
- DTXSID
DTXSID10167916
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 208 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 10
- 回転可能結合数
- 20
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 1,030
関連反応
13 件
化合物ノート
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