2-[[azanyl(phenyl)methyl]amino]-4-methylsulfanyl-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(C1=CC=CC=C1)N

Isomeric SMILES

CSCCC(C(=O)O)NC(C1=CC=CC=C1)N

InChI

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