2-(butylamino)-3-(chloromethylsulfanyl)propanoic acid

Systemtic Name: 2-(butylamino)-3-(chloromethylsulfanyl)propanoic acid Openeye Name: 2-(butylamino)-3-(chloromethylsulfanyl)propanoic acid CAS Name: 2-(butylamino)-3-(chloromethylthio)propanoic acid IUPAC Name: 2-(butylamino)-3-(chloromethylsulfanyl)propanoic acid Traditional Name: 2-(butylamino)-3-(chloromethylthio)propionic acid Formula: C8H16ClNO2S MolecularWeight: 225.73614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CSCCl)C(=O)O

Isomeric SMILES

CCCCNC(CSCCl)C(=O)O

InChI

InChI=1S/C8H16ClNO2S/c1-2-3-4-10-7(8(11)12)5-13-6-9/h7,10H,2-6H2,1H3,(H,11,12)