tert-butyl N-[(2S,3S,4R)-1-[bis(2-cyanoethoxy)phosphoryloxy]-3,4-bis(oxidanyl)octadecan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,4R)-1-[bis(2-cyanoethoxy)phosphoryloxy]-3,4-bis(oxidanyl)octadecan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,3R)-1-[bis(2-cyanoethoxy)phosphoryloxymethyl]-2,3-dihydroxy-heptadecyl]carbamate CAS Name: N-[(2S,3S,4R)-1-[bis(2-cyanoethoxy)phosphoryloxy]-3,4-dihydroxyoctadecan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,4R)-1-[bis(2-cyanoethoxy)phosphoryloxy]-3,4-dihydroxyoctadecan-2-yl]carbamate Traditional Name: N-[(1S,2S,3R)-1-[bis(2-cyanoethoxy)phosphoryloxymethyl]-2,3-dihydroxy-heptadecyl]carbamic acid tert-butyl ester Formula: C29H54N3O8P MolecularWeight: 603.728121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C)O)O

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C)O)O

InChI

InChI=1S/C29H54N3O8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-26(33)27(34)25(32-28(35)40-29(2,3)4)24-39-41(36,37-22-17-20-30)38-23-18-21-31/h25-27,33-34H,5-19,22-24H2,1-4H3,(H,32,35)/t25-,26+,27-/m0/s1