methyl (4R,5S)-5-methyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: methyl (4R,5S)-5-methyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)heptanoate Openeye Name: methyl (4R,5S)-4-(benzyloxycarbonylamino)-5-methyl-3-oxo-heptanoate CAS Name: (4R,5S)-5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)heptanoic acid methyl ester IUPAC Name: methyl (4R,5S)-5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)heptanoate Traditional Name: (4R,5S)-4-(benzyloxycarbonylamino)-3-keto-5-methyl-enanthic acid methyl ester Formula: C17H23NO5 MolecularWeight: 321.36822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-4-12(2)16(14(19)10-15(20)22-3)18-17(21)23-11-13-8-6-5-7-9-13/h5-9,12,16H,4,10-11H2,1-3H3,(H,18,21)/t12-,16+/m0/s1