tert-butyl (3R,4S)-3-methoxy-4-[methyl(phenylmethoxycarbonyl)amino]heptanoate

Systemtic Name: tert-butyl (3R,4S)-3-methoxy-4-[methyl(phenylmethoxycarbonyl)amino]heptanoate Openeye Name: tert-butyl (3R,4S)-4-[benzyloxycarbonyl(methyl)amino]-3-methoxy-heptanoate CAS Name: (3R,4S)-3-methoxy-4-[methyl(phenylmethoxycarbonyl)amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S)-3-methoxy-4-[methyl(phenylmethoxycarbonyl)amino]heptanoate Traditional Name: (3R,4S)-4-[carbobenzoxy(methyl)amino]-3-methoxy-enanthic acid tert-butyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(=O)OC(C)(C)C)OC)N(C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO5/c1-7-11-17(18(25-6)14-19(23)27-21(2,3)4)22(5)20(24)26-15-16-12-9-8-10-13-16/h8-10,12-13,17-18H,7,11,14-15H2,1-6H3/t17-,18+/m0/s1