(3S)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-3-(2-phenylethanoylamino)propanoate

Systemtic Name: (3S)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-3-(2-phenylethanoylamino)propanoate Openeye Name: (3S)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-3-[(2-phenylacetyl)amino]propanoate CAS Name: (3S)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(1-oxo-2-phenylethyl)amino]propanoate IUPAC Name: (3S)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate Traditional Name: (3S)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-3-[(2-phenylacetyl)amino]propionate Formula: C20H21N2O6- MolecularWeight: 385.39054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])NC(=O)CC2=CC=CC=C2)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])NC(=O)CC2=CC=CC=C2)OCC(=O)N

InChI

InChI=1S/C20H22N2O6/c1-27-17-10-14(7-8-16(17)28-12-18(21)23)15(11-20(25)26)22-19(24)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11-12H2,1H3,(H2,21,23)(H,22,24)(H,25,26)/p-1/t15-/m0/s1