1,3-bis(hexadecanoylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)ethanoate

Systemtic Name: 1,3-bis(hexadecanoylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)ethanoate Openeye Name: [2-(hexadecanoylamino)-1-[(hexadecanoylamino)methyl]ethyl] 2-(benzyloxycarbonylamino)acetate CAS Name: 2-(phenylmethoxycarbonylamino)acetic acid 1,3-bis(1-oxohexadecylamino)propan-2-yl ester IUPAC Name: 1,3-bis(hexadecanoylamino)propan-2-yl 2-(phenylmethoxycarbonylamino)acetate Traditional Name: 2-(benzyloxycarbonylamino)acetic acid [2-palmitamido-1-(palmitamidomethyl)ethyl] ester Formula: C45H79N3O6 MolecularWeight: 758.12526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCC)OC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCC)OC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C45H79N3O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-42(49)46-36-41(54-44(51)38-48-45(52)53-39-40-32-28-27-29-33-40)37-47-43(50)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,41H,3-26,30-31,34-39H2,1-2H3,(H,46,49)(H,47,50)(H,48,52)