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

Systemtic Name: (phenylmethyl) 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate Openeye Name: benzyl 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6/c1-19(28-27(33)35-18-22-10-6-3-7-11-22)25(31)29-24(16-20-12-14-23(30)15-13-20)26(32)34-17-21-8-4-2-5-9-21/h2-15,19,24,30H,16-18H2,1H3,(H,28,33)(H,29,31)