methyl 3,3-bis(azanyl)-2-(hexadecylsulfanylmethyl)propanoate

Systemtic Name: methyl 3,3-bis(azanyl)-2-(hexadecylsulfanylmethyl)propanoate Openeye Name: methyl 3,3-diamino-2-(hexadecylsulfanylmethyl)propanoate CAS Name: 3,3-diamino-2-[(hexadecylthio)methyl]propanoic acid methyl ester IUPAC Name: methyl 3,3-diamino-2-(hexadecylsulfanylmethyl)propanoate Traditional Name: 3,3-diamino-2-[(cetylthio)methyl]propionic acid methyl ester Formula: C21H44N2O2S MolecularWeight: 388.65126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(C(N)N)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(C(N)N)C(=O)OC

InChI

InChI=1S/C21H44N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-18-19(20(22)23)21(24)25-2/h19-20H,3-18,22-23H2,1-2H3