2-azanyl-3-[(4-imidazol-1-ylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-imidazol-1-ylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(4-imidazol-1-ylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[4-(1-imidazolyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[(4-imidazol-1-ylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-imidazol-1-ylbenzyl)thio]propionic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(C(=O)O)N)N2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CSCC(C(=O)O)N)N2C=CN=C2

InChI

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