propan-2-yl (1S,2R)-3-methyl-1-phenyl-2-(phenylmethoxycarbonylamino)butane-1-sulfonate

Systemtic Name: propan-2-yl (1S,2R)-3-methyl-1-phenyl-2-(phenylmethoxycarbonylamino)butane-1-sulfonate Openeye Name: isopropyl (1S,2R)-2-(benzyloxycarbonylamino)-3-methyl-1-phenyl-butane-1-sulfonate CAS Name: (1S,2R)-3-methyl-1-phenyl-2-(phenylmethoxycarbonylamino)-1-butanesulfonic acid IUPAC Name: propan-2-yl (1S,2R)-3-methyl-1-phenyl-2-(phenylmethoxycarbonylamino)butane-1-sulfonate Traditional Name: (1S,2R)-2-(benzyloxycarbonylamino)-3-methyl-1-phenyl-butane-1-sulfonic acid isopropyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=CC=C1)S(=O)(=O)OC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-16(2)20(23-22(24)27-15-18-11-7-5-8-12-18)21(19-13-9-6-10-14-19)29(25,26)28-17(3)4/h5-14,16-17,20-21H,15H2,1-4H3,(H,23,24)/t20-,21+/m1/s1