Carbamic acid, (4-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R,2R,4S,5(R(R*))))-

HCID 5481295

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基本情報

CAS: 181038-54-0
標準SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccc2c(c1)OCO2)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
InChIKey: CXLYZAFMLKEBSW-PKLPENAZSA-N
分子式: C43H56N4O9
平均分子量: 772.94 g/mol
単同位体質量: 772.40472937

優先名称: Carbamic acid, (4-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-
IUPAC: tert-Butyl [(2S,3S,5R)-5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-6-{[(2S)-3-methyl-1-{[(2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]amino}-1-oxobutan-2-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate

読み込み中…

CAS: 181038-54-0
標準SMILES: CC(C)[C@H](NC(=O)[C@H](Cc1ccc2c(c1)OCO2)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1
InChIKey: CXLYZAFMLKEBSW-PKLPENAZSA-N
分子式: C43H56N4O9
平均分子量: 772.94 g/mol
単同位体質量: 772.40472937

優先名称: Carbamic acid, (4-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-
IUPAC: tert-Butyl [(2S,3S,5R)-5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-hydroxy-6-{[(2S)-3-methyl-1-{[(2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]amino}-1-oxobutan-2-yl]amino}-6-oxo-1-phenylhexan-2-yl]carbamate

読み込み中…