methyl (5S)-7-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: methyl (5S)-7-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)octanoate Openeye Name: methyl (5S)-5-(benzyloxycarbonylamino)-7-methyl-4-oxo-octanoate CAS Name: (5S)-7-methyl-4-oxo-5-(phenylmethoxycarbonylamino)octanoic acid methyl ester IUPAC Name: methyl (5S)-7-methyl-4-oxo-5-(phenylmethoxycarbonylamino)octanoate Traditional Name: (5S)-5-(benzyloxycarbonylamino)-4-keto-7-methyl-caprylic acid methyl ester Formula: C18H25NO5 MolecularWeight: 335.3948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CCC(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)CCC(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25NO5/c1-13(2)11-15(16(20)9-10-17(21)23-3)19-18(22)24-12-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,19,22)/t15-/m0/s1