(phenylmethyl) (4S)-5-methyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) (4S)-5-methyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl (4S)-4-(benzyloxycarbonylamino)-5-methyl-3-oxo-hexanoate CAS Name: (4S)-5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-3-keto-5-methyl-hexanoic acid benzyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25NO5/c1-16(2)21(23-22(26)28-15-18-11-7-4-8-12-18)19(24)13-20(25)27-14-17-9-5-3-6-10-17/h3-12,16,21H,13-15H2,1-2H3,(H,23,26)/t21-/m0/s1