O4-tert-butyl O1-methyl (2R,3S)-2-(cyanomethyl)-3-(phenylmethoxycarbonylamino)butanedioate

Systemtic Name: O4-tert-butyl O1-methyl (2R,3S)-2-(cyanomethyl)-3-(phenylmethoxycarbonylamino)butanedioate Openeye Name: O1-tert-butyl O4-methyl (2S,3R)-2-(benzyloxycarbonylamino)-3-(cyanomethyl)butanedioate CAS Name: (2R,3S)-2-(cyanomethyl)-3-(phenylmethoxycarbonylamino)butanedioic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl (2R,3S)-2-(cyanomethyl)-3-(phenylmethoxycarbonylamino)butanedioate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-(cyanomethyl)succinic acid O1-tert-butyl ester O4-methyl ester Formula: C19H24N2O6 MolecularWeight: 376.40366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(CC#N)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]([C@@H](CC#N)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H24N2O6/c1-19(2,3)27-17(23)15(14(10-11-20)16(22)25-4)21-18(24)26-12-13-8-6-5-7-9-13/h5-9,14-15H,10,12H2,1-4H3,(H,21,24)/t14-,15+/m1/s1