(2R)-2-azanyl-3-(4-bromanyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-(4-bromanyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-(4-bromo-6-hydroxy-cyclohexa-2,4-dien-1-yl)sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[(4-bromo-6-hydroxy-1-cyclohexa-2,4-dienyl)thio]propanoic acid IUPAC Name: (2R)-2-amino-3-(4-bromo-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[(4-bromo-6-hydroxy-cyclohexa-2,4-dien-1-yl)thio]propionic acid Formula: C9H12BrNO3S MolecularWeight: 294.16548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(C1SCC(C(=O)O)N)O)Br

Isomeric SMILES

C1=CC(=CC(C1SC[C@@H](C(=O)O)N)O)Br

InChI

InChI=1S/C9H12BrNO3S/c10-5-1-2-8(7(12)3-5)15-4-6(11)9(13)14/h1-3,6-8,12H,4,11H2,(H,13,14)/t6-,7?,8?/m0/s1