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

Systemtic Name: (2S)-3-(4-methoxyphenyl)-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid Openeye Name: (2S)-2-[3-(benzyloxycarbonylamino)propanoylamino]-3-(4-methoxyphenyl)propanoic acid CAS Name: (2S)-3-(4-methoxyphenyl)-2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-methoxyphenyl)-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid Traditional Name: (2S)-2-[3-(benzyloxycarbonylamino)propanoylamino]-3-(4-methoxyphenyl)propionic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-28-17-9-7-15(8-10-17)13-18(20(25)26)23-19(24)11-12-22-21(27)29-14-16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t18-/m0/s1