[3-azanyl-4-bis(2-azanyl-3-decanoyloxy-butoxy)phosphoryloxy-butan-2-yl] decanoate

Systemtic Name: [3-azanyl-4-bis(2-azanyl-3-decanoyloxy-butoxy)phosphoryloxy-butan-2-yl] decanoate Openeye Name: [2-amino-3-bis(2-amino-3-decanoyloxy-butoxy)phosphoryloxy-1-methyl-propyl] decanoate CAS Name: decanoic acid [3-amino-4-bis[2-amino-3-(1-oxodecoxy)butoxy]phosphoryloxybutan-2-yl] ester IUPAC Name: [3-amino-4-bis(2-amino-3-decanoyloxybutoxy)phosphoryloxybutan-2-yl] decanoate Traditional Name: capric acid [2-amino-3-bis(2-amino-3-capryloxy-butoxy)phosphoryloxy-1-methyl-propyl] ester Formula: C42H84N3O10P MolecularWeight: 822.104221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(C)C(COP(=O)(OCC(C(C)OC(=O)CCCCCCCCC)N)OCC(C(C)OC(=O)CCCCCCCCC)N)N

Isomeric SMILES

CCCCCCCCCC(=O)OC(C)C(COP(=O)(OCC(C(C)OC(=O)CCCCCCCCC)N)OCC(C(C)OC(=O)CCCCCCCCC)N)N

InChI

InChI=1S/C42H84N3O10P/c1-7-10-13-16-19-22-25-28-40(46)53-34(4)37(43)31-50-56(49,51-32-38(44)35(5)54-41(47)29-26-23-20-17-14-11-8-2)52-33-39(45)36(6)55-42(48)30-27-24-21-18-15-12-9-3/h34-39H,7-33,43-45H2,1-6H3