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

Systemtic Name: butyl (5S)-7-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)octanoate Openeye Name: butyl (5S)-5-(benzyloxycarbonylamino)-7-methyl-4-oxo-octanoate CAS Name: (5S)-7-methyl-4-oxo-5-(phenylmethoxycarbonylamino)octanoic acid butyl ester IUPAC Name: butyl (5S)-7-methyl-4-oxo-5-(phenylmethoxycarbonylamino)octanoate Traditional Name: (5S)-5-(benzyloxycarbonylamino)-4-keto-7-methyl-caprylic acid butyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-4-5-13-26-20(24)12-11-19(23)18(14-16(2)3)22-21(25)27-15-17-9-7-6-8-10-17/h6-10,16,18H,4-5,11-15H2,1-3H3,(H,22,25)/t18-/m0/s1