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

Systemtic Name: 3-(4-methoxyphenyl)-2-[3-methylbutanoyl(phenylmethoxycarbonylamino)amino]propanoic acid Openeye Name: 2-[benzyloxycarbonylamino(3-methylbutanoyl)amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-(4-methoxyphenyl)-2-[(3-methyl-1-oxobutyl)-(phenylmethoxycarbonylamino)amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-2-[3-methylbutanoyl(phenylmethoxycarbonylamino)amino]propanoic acid Traditional Name: 2-[benzyloxycarbonylamino(isovaleryl)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)N(C(CC1=CC=C(C=C1)OC)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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