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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)CN(CCCCCCN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)CN(CCCCCCN(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H40N2O7S/c1-2-41-42(37,38)27-34(32(36)40-26-30-20-12-7-13-21-30)23-15-4-3-14-22-33(24-28-16-8-5-9-17-28)31(35)39-25-29-18-10-6-11-19-29/h5-13,16-21H,2-4,14-15,22-27H2,1H3