2-azanyl-3-(1H-benzimidazol-2-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-azanyl-3-(1H-benzimidazol-2-ylmethylsulfanyl)propanoic acid Openeye Name: 2-amino-3-(1H-benzimidazol-2-ylmethylsulfanyl)propanoic acid CAS Name: 2-amino-3-(1H-benzimidazol-2-ylmethylthio)propanoic acid IUPAC Name: 2-amino-3-(1H-benzimidazol-2-ylmethylsulfanyl)propanoic acid Traditional Name: 2-amino-3-(1H-benzimidazol-2-ylmethylthio)propionic acid Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSCC(C(=O)O)N

InChI

InChI=1S/C11H13N3O2S/c12-7(11(15)16)5-17-6-10-13-8-3-1-2-4-9(8)14-10/h1-4,7H,5-6,12H2,(H,13,14)(H,15,16)