(phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(10-oxidanylidenedecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-(10-oxidanylidenedecanoylamino)hexanoate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-6-oxo-6-(10-oxodecanoylamino)hexanoate CAS Name: 6-(1,10-dioxodecylamino)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(10-oxodecanoylamino)hexanoate Traditional Name: 5-(tert-butoxycarbonylamino)-6-keto-6-(10-ketodecanoylamino)hexanoic acid benzyl ester Formula: C28H42N2O7 MolecularWeight: 518.64228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)CCCCCCCCC=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC(=O)OCC1=CC=CC=C1)C(=O)NC(=O)CCCCCCCCC=O

InChI

InChI=1S/C28H42N2O7/c1-28(2,3)37-27(35)29-23(17-14-19-25(33)36-21-22-15-10-9-11-16-22)26(34)30-24(32)18-12-7-5-4-6-8-13-20-31/h9-11,15-16,20,23H,4-8,12-14,17-19,21H2,1-3H3,(H,29,35)(H,30,32,34)