O1-(5-decoxypentanoylamino) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate

Systemtic Name: O1-(5-decoxypentanoylamino) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Openeye Name: O6-benzyl O1-(5-decoxypentanoylamino) 2-(tert-butoxycarbonylamino)hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-[(5-decoxy-1-oxopentyl)amino] ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-(5-decoxypentanoylamino) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Traditional Name: 2-(tert-butoxycarbonylamino)adipic acid O6-benzyl ester O1-(5-decoxypentanoylamino) ester Formula: C33H54N2O8 MolecularWeight: 606.79046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCCCCC(=O)NOC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCOCCCCC(=O)NOC(=O)C(CCCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H54N2O8/c1-5-6-7-8-9-10-11-16-24-40-25-17-15-22-29(36)35-43-31(38)28(34-32(39)42-33(2,3)4)21-18-23-30(37)41-26-27-19-13-12-14-20-27/h12-14,19-20,28H,5-11,15-18,21-26H2,1-4H3,(H,34,39)(H,35,36)