methyl 3-(4-hydroxyphenyl)-2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate

Systemtic Name: methyl 3-(4-hydroxyphenyl)-2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C22H26N2O7/c1-14(25)19(24-22(29)31-13-16-6-4-3-5-7-16)20(27)23-18(21(28)30-2)12-15-8-10-17(26)11-9-15/h3-11,14,18-19,25-26H,12-13H2,1-2H3,(H,23,27)(H,24,29)