tert-butyl 2-[hexadecanoyl-(3-oxidanylidene-2-tetradecyl-octadecanoyl)amino]-3-sulfanyl-propanoate

Systemtic Name: tert-butyl 2-[hexadecanoyl-(3-oxidanylidene-2-tetradecyl-octadecanoyl)amino]-3-sulfanyl-propanoate Openeye Name: tert-butyl 2-[hexadecanoyl-(3-oxo-2-tetradecyl-octadecanoyl)amino]-3-sulfanyl-propanoate CAS Name: 2-[(1,3-dioxo-2-tetradecyloctadecyl)-(1-oxohexadecyl)amino]-3-mercaptopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[hexadecanoyl-(3-oxo-2-tetradecyloctadecanoyl)amino]-3-sulfanylpropanoate Traditional Name: 2-[hexadecanoyl-(3-keto-2-myristyl-octadecanoyl)amino]-3-mercapto-propionic acid tert-butyl ester Formula: C55H105NO5S MolecularWeight: 892.4909

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCC)C(=O)N(C(CS)C(=O)OC(C)(C)C)C(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCC)C(=O)N(C(CS)C(=O)OC(C)(C)C)C(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C55H105NO5S/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-51(57)49(45-42-39-36-33-30-27-24-21-18-15-12-9-3)53(59)56(50(48-62)54(60)61-55(4,5)6)52(58)47-44-41-38-35-32-29-26-23-20-17-14-11-8-2/h49-50,62H,7-48H2,1-6H3