3-[[4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-methoxy-2-oxo-ethoxy)benzoyl]amino]propanoic acid CAS Name: 3-[[[4-(2-methoxy-2-oxoethoxy)phenyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[4-(2-methoxy-2-oxoethoxy)benzoyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-keto-2-methoxy-ethoxy)benzoyl]amino]propionic acid Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O8/c1-29-18(24)13-30-16-9-7-15(8-10-16)19(25)22-11-17(20(26)27)23-21(28)31-12-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,22,25)(H,23,28)(H,26,27)