(2S)-2-[[2-azanyl-3,5-bis(bromanyl)phenyl]methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[2-azanyl-3,5-bis(bromanyl)phenyl]methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(2-amino-3,5-dibromo-phenyl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(2-amino-3,5-dibromophenyl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(2-amino-3,5-dibromophenyl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(2-amino-3,5-dibromo-benzyl)amino]-4-(methylthio)butyric acid Formula: C12H16Br2N2O2S MolecularWeight: 412.14064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@H](C(=O)O)NCC1=CC(=CC(=C1N)Br)Br

InChI

InChI=1S/C12H16Br2N2O2S/c1-19-3-2-10(12(17)18)16-6-7-4-8(13)5-9(14)11(7)15/h4-5,10,16H,2-3,6,15H2,1H3,(H,17,18)/t10-/m0/s1