methyl 3-[[2-(hexadecylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: methyl 3-[[2-(hexadecylamino)-2-oxidanylidene-ethyl]sulfanylcarbothioyl-(3-methoxy-3-oxidanylidene-propyl)amino]propanoate Openeye Name: methyl 3-[[2-(hexadecylamino)-2-oxo-ethyl]sulfanylcarbothioyl-(3-methoxy-3-oxo-propyl)amino]propanoate CAS Name: 3-[[[[2-(hexadecylamino)-2-oxoethyl]thio]-sulfanylidenemethyl]-(3-methoxy-3-oxopropyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(hexadecylamino)-2-oxoethyl]sulfanylcarbothioyl-(3-methoxy-3-oxopropyl)amino]propanoate Traditional Name: 3-[[[2-(cetylamino)-2-keto-ethyl]thio]carbothioyl-(3-keto-3-methoxy-propyl)amino]propionic acid methyl ester Formula: C27H50N2O5S2 MolecularWeight: 546.8263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)CSC(=S)N(CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)CSC(=S)N(CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C27H50N2O5S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24(30)23-36-27(35)29(21-18-25(31)33-2)22-19-26(32)34-3/h4-23H2,1-3H3,(H,28,30)