ethyl (5S)-6-methyl-2-(2-methylpropyl)-4-oxidanylidene-5-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: ethyl (5S)-6-methyl-2-(2-methylpropyl)-4-oxidanylidene-5-(phenylmethoxycarbonylamino)heptanoate Openeye Name: ethyl (5S)-5-(benzyloxycarbonylamino)-2-isobutyl-6-methyl-4-oxo-heptanoate CAS Name: (5S)-6-methyl-2-(2-methylpropyl)-4-oxo-5-(phenylmethoxycarbonylamino)heptanoic acid ethyl ester IUPAC Name: ethyl (5S)-6-methyl-2-(2-methylpropyl)-4-oxo-5-(phenylmethoxycarbonylamino)heptanoate Traditional Name: (5S)-5-(benzyloxycarbonylamino)-2-isobutyl-4-keto-6-methyl-enanthic acid ethyl ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)CC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO5/c1-6-27-21(25)18(12-15(2)3)13-19(24)20(16(4)5)23-22(26)28-14-17-10-8-7-9-11-17/h7-11,15-16,18,20H,6,12-14H2,1-5H3,(H,23,26)/t18?,20-/m0/s1