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

Systemtic Name: 4-acetyloxy-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 4-acetoxy-2-(benzyloxycarbonylamino)-6-tert-butoxycarbonyl-5-oxo-octanoic acid CAS Name: 4-acetyloxy-6-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-oxo-2-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 4-acetyloxy-6-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-2-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 4-acetoxy-2-(benzyloxycarbonylamino)-6-tert-butoxycarbonyl-5-keto-caprylic acid Formula: C23H31NO9 MolecularWeight: 465.49354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO9/c1-6-16(21(29)33-23(3,4)5)19(26)18(32-14(2)25)12-17(20(27)28)24-22(30)31-13-15-10-8-7-9-11-15/h7-11,16-18H,6,12-13H2,1-5H3,(H,24,30)(H,27,28)