7-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 7-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-6-tert-butoxycarbonyl-7-methyl-5-oxo-octanoic acid CAS Name: 7-methyl-6-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-oxo-2-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 7-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-2-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-6-tert-butoxycarbonyl-5-keto-7-methyl-caprylic acid Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO7/c1-14(2)18(20(27)30-22(3,4)5)17(24)12-11-16(19(25)26)23-21(28)29-13-15-9-7-6-8-10-15/h6-10,14,16,18H,11-13H2,1-5H3,(H,23,28)(H,25,26)