tert-butyl N-[3-bis(phenylmethoxy)phosphoryloxy-1-(octadecylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-bis(phenylmethoxy)phosphoryloxy-1-(octadecylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(dibenzyloxyphosphoryloxymethyl)-2-(octadecylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-bis(phenylmethoxy)phosphoryloxy-1-(octadecylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-bis(phenylmethoxy)phosphoryloxy-1-(octadecylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(dibenzoxyphosphoryloxymethyl)-2-keto-2-(stearylamino)ethyl]carbamic acid tert-butyl ester Formula: C40H65N2O7P MolecularWeight: 716.927061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(COP(=O)(OCC1=CC=CC=C1)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(COP(=O)(OCC1=CC=CC=C1)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C40H65N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-31-41-38(43)37(42-39(44)49-40(2,3)4)34-48-50(45,46-32-35-27-22-20-23-28-35)47-33-36-29-24-21-25-30-36/h20-25,27-30,37H,5-19,26,31-34H2,1-4H3,(H,41,43)(H,42,44)