2-[phenylmethoxycarbonyl-[6-[phenylmethoxycarbonyl-(phenylmethyl)amino]hexyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[phenylmethoxycarbonyl-[6-[phenylmethoxycarbonyl-(phenylmethyl)amino]hexyl]amino]ethyl methanesulfonate Openeye Name: 2-[6-[benzyl(benzyloxycarbonyl)amino]hexyl-benzyloxycarbonyl-amino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[phenylmethoxycarbonyl-[6-[phenylmethoxycarbonyl-(phenylmethyl)amino]hexyl]amino]ethyl ester IUPAC Name: 2-[6-[benzyl(phenylmethoxycarbonyl)amino]hexyl-phenylmethoxycarbonylamino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[6-[benzyl(carbobenzoxy)amino]hexyl-carbobenzoxy-amino]ethyl ester Formula: C32H40N2O7S MolecularWeight: 596.7342

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCCCCCN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OCCN(CCCCCCN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H40N2O7S/c1-42(37,38)41-24-23-33(31(35)39-26-29-17-9-5-10-18-29)21-13-2-3-14-22-34(25-28-15-7-4-8-16-28)32(36)40-27-30-19-11-6-12-20-30/h4-12,15-20H,2-3,13-14,21-27H2,1H3