2-[[2,5-bis(azanyl)phenyl]methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2,5-bis(azanyl)phenyl]methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2,5-diaminophenyl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2,5-diaminophenyl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2,5-diaminophenyl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2,5-diaminobenzyl)amino]-4-(methylthio)butyric acid Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NCC1=C(C=CC(=C1)N)N

Isomeric SMILES

CSCCC(C(=O)O)NCC1=C(C=CC(=C1)N)N

InChI

InChI=1S/C12H19N3O2S/c1-18-5-4-11(12(16)17)15-7-8-6-9(13)2-3-10(8)14/h2-3,6,11,15H,4-5,7,13-14H2,1H3,(H,16,17)