2-[(2-aminophenyl)methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-aminophenyl)methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-aminophenyl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-aminophenyl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-aminophenyl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-aminobenzyl)amino]-4-(methylthio)butyric acid Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1=CC=CC=C1N

Isomeric SMILES

CSCCC(C(=O)O)NCC1=CC=CC=C1N

InChI

InChI=1S/C12H18N2O2S/c1-17-7-6-11(12(15)16)14-8-9-4-2-3-5-10(9)13/h2-5,11,14H,6-8,13H2,1H3,(H,15,16)