6-methyl-2-oxidanyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: 6-methyl-2-oxidanyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)heptanoate Openeye Name: 4-(benzyloxycarbonylamino)-2-hydroxy-6-methyl-3-oxo-heptanoate CAS Name: 2-hydroxy-6-methyl-3-oxo-4-(phenylmethoxycarbonylamino)heptanoate IUPAC Name: 2-hydroxy-6-methyl-3-oxo-4-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 4-(benzyloxycarbonylamino)-2-hydroxy-3-keto-6-methyl-enanthate Formula: C16H20NO6- MolecularWeight: 322.3331

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(=O)[O-])O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)C(C(=O)[O-])O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21NO6/c1-10(2)8-12(13(18)14(19)15(20)21)17-16(22)23-9-11-6-4-3-5-7-11/h3-7,10,12,14,19H,8-9H2,1-2H3,(H,17,22)(H,20,21)/p-1