tert-butyl (3R)-12-methyl-3-(phenylmethoxycarbonylamino)tetradecanoate

Systemtic Name: tert-butyl (3R)-12-methyl-3-(phenylmethoxycarbonylamino)tetradecanoate Openeye Name: tert-butyl (3R)-3-(benzyloxycarbonylamino)-12-methyl-tetradecanoate CAS Name: (3R)-12-methyl-3-(phenylmethoxycarbonylamino)tetradecanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-12-methyl-3-(phenylmethoxycarbonylamino)tetradecanoate Traditional Name: (3R)-3-(benzyloxycarbonylamino)-12-methyl-myristic acid tert-butyl ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCCCCC(CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO4/c1-6-22(2)16-12-9-7-8-10-15-19-24(20-25(29)32-27(3,4)5)28-26(30)31-21-23-17-13-11-14-18-23/h11,13-14,17-18,22,24H,6-10,12,15-16,19-21H2,1-5H3,(H,28,30)/t22?,24-/m1/s1