[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propyl] ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO5S/c1-19-12-14-23(15-13-19)31(27,28)30-18-22(16-20-8-4-2-5-9-20)25-24(26)29-17-21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3,(H,25,26)/t22-/m0/s1