3-(4-methoxyphenyl)-2-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-2-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 2-[[3-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-(4-methoxyphenyl)-2-[[3-methyl-1-oxo-3-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-2-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 2-[[3-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-(4-methoxyphenyl)propionic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O6/c1-23(2,25-22(29)31-15-17-7-5-4-6-8-17)14-20(26)24-19(21(27)28)13-16-9-11-18(30-3)12-10-16/h4-12,19H,13-15H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)