(phenylmethyl) 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)butanoylamino]propanoate

Systemtic Name: (phenylmethyl) 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)butanoylamino]propanoate Openeye Name: benzyl 2-[2-(benzyloxycarbonylamino)butanoylamino]-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)butanoylamino]propanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)butanoylamino]-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O6/c1-2-24(30-28(34)36-19-22-11-7-4-8-12-22)26(32)29-25(17-20-13-15-23(31)16-14-20)27(33)35-18-21-9-5-3-6-10-21/h3-16,24-25,31H,2,17-19H2,1H3,(H,29,32)(H,30,34)