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

Systemtic Name: 1,3-bis(decanoylamino)propan-2-yl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: [2-(decanoylamino)-1-[(decanoylamino)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-oxodecylamino)propan-2-yl ester IUPAC Name: 1,3-bis(decanoylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid [2-(caprylamino)-1-[(caprylamino)methyl]ethyl] ester Formula: C37H61N3O6S MolecularWeight: 675.96174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCC)OC(=O)CNC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCC)OC(=O)CNC(=O)C(CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C37H61N3O6S/c1-4-6-8-10-12-14-19-23-34(42)38-26-33(27-39-35(43)24-20-15-13-11-9-7-5-2)46-36(44)28-40-37(45)32(29-47-30(3)41)25-31-21-17-16-18-22-31/h16-18,21-22,32-33H,4-15,19-20,23-29H2,1-3H3,(H,38,42)(H,39,43)(H,40,45)