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

Systemtic Name: 3-(chloromethylsulfanyl)-2-(docosylamino)propanoic acid; methanal Openeye Name: 3-(chloromethylsulfanyl)-2-(docosylamino)propanoic acid; formaldehyde CAS Name: 3-(chloromethylthio)-2-(docosylamino)propanoic acid; formaldehyde IUPAC Name: 3-(chloromethylsulfanyl)-2-(docosylamino)propanoic acid; formaldehyde Traditional Name: 2-(behenylamino)-3-(chloromethylthio)propionic acid; formaldehyde Formula: C27H54ClNO3S MolecularWeight: 508.24056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNC(CSCCl)C(=O)O.C=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCNC(CSCCl)C(=O)O.C=O

InChI

InChI=1S/C26H52ClNO2S.CH2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-25(26(29)30)23-31-24-27;1-2/h25,28H,2-24H2,1H3,(H,29,30);1H2