[(2R)-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[benzyloxycarbonyl(benzyloxycarbonylamino)amino]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propyl] ester IUPAC Name: [(2R)-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-[benzyloxycarbonylamino(carbobenzoxy)amino]propyl] ester Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)N(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)N(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O7S/c1-20-13-15-24(16-14-20)36(31,32)35-17-21(2)28(26(30)34-19-23-11-7-4-8-12-23)27-25(29)33-18-22-9-5-3-6-10-22/h3-16,21H,17-19H2,1-2H3,(H,27,29)/t21-/m1/s1