3-(4-methoxyphenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-(4-methoxyphenyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-methoxyphenyl)propionic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-27-16-9-7-14(8-10-16)11-17(19(24)25)22-18(23)12-21-20(26)28-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)