O1-tert-butyl O6-ethyl (2S)-3-methyl-5-methylidene-2-(phenylmethoxycarbonylamino)hexanedioate

Systemtic Name: O1-tert-butyl O6-ethyl (2S)-3-methyl-5-methylidene-2-(phenylmethoxycarbonylamino)hexanedioate Openeye Name: O1-tert-butyl O6-ethyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-5-methylene-hexanedioate CAS Name: (2S)-3-methyl-5-methylene-2-(phenylmethoxycarbonylamino)hexanedioic acid O1-tert-butyl ester O6-ethyl ester IUPAC Name: 1-O-tert-butyl 6-O-ethyl (2S)-3-methyl-5-methylidene-2-(phenylmethoxycarbonylamino)hexanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-5-methylene-adipic acid O1-tert-butyl ester O6-ethyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C)CC(C)C(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6/c1-7-27-19(24)16(3)13-15(2)18(20(25)29-22(4,5)6)23-21(26)28-14-17-11-9-8-10-12-17/h8-12,15,18H,3,7,13-14H2,1-2,4-6H3,(H,23,26)/t15?,18-/m0/s1