(2S)-2-azanyl-3-(3-bromanyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(3-bromanyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2S)-2-amino-3-(3-bromo-4-hydroxy-phenyl)propanoic acid CAS Name: (2S)-2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(3-bromo-4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-amino-3-(3-bromo-4-hydroxy-phenyl)propionic acid Formula: C9H10BrNO3 MolecularWeight: 260.0846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)Br)O

Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)N)Br)O

InChI

InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1