tert-butyl N-[(4S,5R,6S)-2-methyl-4,5-bis(oxidanyl)-14-phenyl-tetradecan-6-yl]carbamate

Systemtic Name: tert-butyl N-[(4S,5R,6S)-2-methyl-4,5-bis(oxidanyl)-14-phenyl-tetradecan-6-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(1R,2S)-1,2-dihydroxy-4-methyl-pentyl]-9-phenyl-nonyl]carbamate CAS Name: N-[(4S,5R,6S)-4,5-dihydroxy-2-methyl-14-phenyltetradecan-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4S,5R,6S)-4,5-dihydroxy-2-methyl-14-phenyltetradecan-6-yl]carbamate Traditional Name: N-[(1S)-1-[(1R,2S)-1,2-dihydroxy-4-methyl-pentyl]-9-phenyl-nonyl]carbamic acid tert-butyl ester Formula: C26H45NO4 MolecularWeight: 435.6398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CCCCCCCCC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)O

Isomeric SMILES

CC(C)C[C@@H]([C@@H]([C@H](CCCCCCCCC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)O

InChI

InChI=1S/C26H45NO4/c1-20(2)19-23(28)24(29)22(27-25(30)31-26(3,4)5)18-14-9-7-6-8-11-15-21-16-12-10-13-17-21/h10,12-13,16-17,20,22-24,28-29H,6-9,11,14-15,18-19H2,1-5H3,(H,27,30)/t22-,23-,24+/m0/s1