tert-butyl (3S,4S,5S)-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]-3-oxidanyl-heptanoate

Systemtic Name: tert-butyl (3S,4S,5S)-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]-3-oxidanyl-heptanoate Openeye Name: tert-butyl (3S,4S,5S)-4-[benzyloxycarbonyl(methyl)amino]-3-hydroxy-5-methyl-heptanoate CAS Name: (3S,4S,5S)-3-hydroxy-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S,5S)-3-hydroxy-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]heptanoate Traditional Name: (3S,4S,5S)-4-[carbobenzoxy(methyl)amino]-3-hydroxy-5-methyl-enanthic acid tert-butyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO5/c1-7-15(2)19(17(23)13-18(24)27-21(3,4)5)22(6)20(25)26-14-16-11-9-8-10-12-16/h8-12,15,17,19,23H,7,13-14H2,1-6H3/t15-,17-,19-/m0/s1