2-[(E)-N'-(1H-benzimidazol-2-yl)carbamimidoyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[(E)-N'-(1H-benzimidazol-2-yl)carbamimidoyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[(E)-N'-(1H-benzimidazol-2-yl)carbamimidoyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[(E)-amino(1H-benzimidazol-2-ylimino)methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[(E)-N'-(1H-benzimidazol-2-yl)carbamimidoyl]-5-sulfanylpentanoic acid Traditional Name: 2-[(E)-N'-(1H-benzimidazol-2-yl)amidino]-5-mercapto-valeric acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/N=C(\C(CCCS)C(=O)O)/N

InChI

InChI=1S/C13H16N4O2S/c14-11(8(12(18)19)4-3-7-20)17-13-15-9-5-1-2-6-10(9)16-13/h1-2,5-6,8,20H,3-4,7H2,(H,18,19)(H3,14,15,16,17)