1,3-bis(hexadecanoylamino)propan-2-yl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: 1,3-bis(hexadecanoylamino)propan-2-yl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: [2-(hexadecanoylamino)-1-[(hexadecanoylamino)methyl]ethyl] 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid 1,3-bis(1-oxohexadecylamino)propan-2-yl ester IUPAC Name: 1,3-bis(hexadecanoylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid [2-palmitamido-1-(palmitamidomethyl)ethyl] ester Formula: C49H85N3O6S MolecularWeight: 844.2807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCC)OC(=O)CNC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCC)OC(=O)CNC(=O)C(CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C49H85N3O6S/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-35-46(54)50-38-45(39-51-47(55)36-32-27-25-23-21-19-17-15-13-11-9-7-5-2)58-48(56)40-52-49(57)44(41-59-42(3)53)37-43-33-29-28-30-34-43/h28-30,33-34,44-45H,4-27,31-32,35-41H2,1-3H3,(H,50,54)(H,51,55)(H,52,57)