3-(aminomethyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]pentanoic acid

Systemtic Name: 3-(aminomethyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]pentanoic acid Openeye Name: 3-(aminomethyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]pentanoic acid CAS Name: 3-(aminomethyl)-5-[(3,4-dichlorophenyl)methylthio]pentanoic acid IUPAC Name: 3-(aminomethyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]pentanoic acid Traditional Name: 3-(aminomethyl)-5-[(3,4-dichlorobenzyl)thio]valeric acid Formula: C13H17Cl2NO2S MolecularWeight: 322.25058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCCC(CC(=O)O)CN)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSCCC(CC(=O)O)CN)Cl)Cl

InChI

InChI=1S/C13H17Cl2NO2S/c14-11-2-1-10(5-12(11)15)8-19-4-3-9(7-16)6-13(17)18/h1-2,5,9H,3-4,6-8,16H2,(H,17,18)