3-(chloromethylsulfanyl)-2-(hexadecylamino)propanoic acid; methanal

Systemtic Name: 3-(chloromethylsulfanyl)-2-(hexadecylamino)propanoic acid; methanal Openeye Name: 3-(chloromethylsulfanyl)-2-(hexadecylamino)propanoic acid; formaldehyde CAS Name: 3-(chloromethylthio)-2-(hexadecylamino)propanoic acid; formaldehyde IUPAC Name: 3-(chloromethylsulfanyl)-2-(hexadecylamino)propanoic acid; formaldehyde Traditional Name: 2-(cetylamino)-3-(chloromethylthio)propionic acid; formaldehyde Formula: C21H42ClNO3S MolecularWeight: 424.08108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(CSCCl)C(=O)O.C=O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(CSCCl)C(=O)O.C=O

InChI

InChI=1S/C20H40ClNO2S.CH2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(20(23)24)17-25-18-21;1-2/h19,22H,2-18H2,1H3,(H,23,24);1H2