2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-methyl-amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-methyl-amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-(4-fluorophenyl)propanoyl]-methyl-amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(4-fluorophenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-methylamino]-3-methylbutanoic acid IUPAC Name: 2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-methylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(4-fluorophenyl)propanoyl]-methyl-amino]-3-methyl-butyric acid Formula: C23H27FN2O5 MolecularWeight: 430.469283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O5/c1-15(2)20(22(28)29)26(3)21(27)19(13-16-9-11-18(24)12-10-16)25-23(30)31-14-17-7-5-4-6-8-17/h4-12,15,19-20H,13-14H2,1-3H3,(H,25,30)(H,28,29)