Carbamic acid, (1-(((2-hydroxy-2-(13-(1-methylethyl)-12,15-dioxo-2,5,8-trioxa-11,14,17-triazabicyclo(1731)tricosa-1(23),19,21-trien-16-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (13S-(13R,16S(1R(R),2S*)))-

HCID 461290

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基本情報

CAS: 180968-39-2
標準SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2cccc(c2)OCCOCCOCCNC(=O)[C@H](C(C)C)NC1=O
InChIKey: ZPJNIOPWFOKSJR-LOFFRUMASA-N
分子式: C42H57N5O9
平均分子量: 775.944 g/mol
単同位体質量: 775.4156284

優先名称: Carbamic acid, (1-(((2-hydroxy-2-(13-(1-methylethyl)-12,15-dioxo-2,5,8-trioxa-11,14,17-triazabicyclo(1731)tricosa-1(23),19,21-trien-16-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (13S-(13R*,16S*(1R*(R*),2S*)))-
IUPAC: Benzyl [(2S)-1-({(2S)-1-[(13S)-12,15-dioxo-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.3.1]tricosa-1(23),19,21-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate

読み込み中…

CAS: 180968-39-2
標準SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2cccc(c2)OCCOCCOCCNC(=O)[C@H](C(C)C)NC1=O
InChIKey: ZPJNIOPWFOKSJR-LOFFRUMASA-N
分子式: C42H57N5O9
平均分子量: 775.944 g/mol
単同位体質量: 775.4156284

優先名称: Carbamic acid, (1-(((2-hydroxy-2-(13-(1-methylethyl)-12,15-dioxo-2,5,8-trioxa-11,14,17-triazabicyclo(1731)tricosa-1(23),19,21-trien-16-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (13S-(13R*,16S*(1R*(R*),2S*)))-
IUPAC: Benzyl [(2S)-1-({(2S)-1-[(13S)-12,15-dioxo-13-(propan-2-yl)-2,5,8-trioxa-11,14,17-triazabicyclo[17.3.1]tricosa-1(23),19,21-trien-16-yl]-1-hydroxy-3-phenylpropan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate

読み込み中…