methyl 3-azanyl-2-(hexadecylsulfanylmethyl)-3-oxidanyl-propanoate

Systemtic Name: methyl 3-azanyl-2-(hexadecylsulfanylmethyl)-3-oxidanyl-propanoate Openeye Name: methyl 3-amino-2-(hexadecylsulfanylmethyl)-3-hydroxy-propanoate CAS Name: 3-amino-2-[(hexadecylthio)methyl]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 3-amino-2-(hexadecylsulfanylmethyl)-3-hydroxypropanoate Traditional Name: 3-amino-2-[(cetylthio)methyl]-3-hydroxy-propionic acid methyl ester Formula: C21H43NO3S MolecularWeight: 389.63602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H43NO3S/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/h19-20,23H,3-18,22H2,1-2H3