(2S)-2-[(2-azanyl-5-bromanyl-phenyl)methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(2-azanyl-5-bromanyl-phenyl)methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(2-amino-5-bromo-phenyl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(2-amino-5-bromophenyl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(2-amino-5-bromophenyl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(2-amino-5-bromo-benzyl)amino]-4-(methylthio)butyric acid Formula: C12H17BrN2O2S MolecularWeight: 333.24458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@H](C(=O)O)NCC1=C(C=CC(=C1)Br)N

InChI

InChI=1S/C12H17BrN2O2S/c1-18-5-4-11(12(16)17)15-7-8-6-9(13)2-3-10(8)14/h2-3,6,11,15H,4-5,7,14H2,1H3,(H,16,17)/t11-/m0/s1