2-azanyl-3-[3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-[(1H-imidazol-2-ylthio)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(1H-imidazol-2-ylsulfanylmethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[(1H-imidazol-2-ylthio)methyl]phenyl]propionic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=CN2)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=CN2)CC(C(=O)O)N

InChI

InChI=1S/C13H15N3O2S/c14-11(12(17)18)7-9-2-1-3-10(6-9)8-19-13-15-4-5-16-13/h1-6,11H,7-8,14H2,(H,15,16)(H,17,18)