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

Systemtic Name: 6-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-6-tert-butoxycarbonyl-5-oxo-octanoic acid CAS Name: 6-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-oxo-2-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-2-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-6-tert-butoxycarbonyl-5-keto-caprylic acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO7/c1-5-15(19(26)29-21(2,3)4)17(23)12-11-16(18(24)25)22-20(27)28-13-14-9-7-6-8-10-14/h6-10,15-16H,5,11-13H2,1-4H3,(H,22,27)(H,24,25)