methyl 2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O6S/c1-30-22(28)19(12-13-32-2)24-21(27)20(14-16-8-10-18(26)11-9-16)25-23(29)31-15-17-6-4-3-5-7-17/h3-11,19-20,26H,12-15H2,1-2H3,(H,24,27)(H,25,29)