[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H27FN2O5 MolecularWeight: 430.469283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NCC1=CC=C(C=C1)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)NCC1=CC=C(C=C1)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27FN2O5/c1-15(2)20(26-23(29)30-14-18-7-5-4-6-8-18)22(28)31-16(3)21(27)25-13-17-9-11-19(24)12-10-17/h4-12,15-16,20H,13-14H2,1-3H3,(H,25,27)(H,26,29)/t16?,20-/m0/s1