2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-3-phenyl-propionic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H17N3O3S/c22-16(11-25-18-20-13-8-4-5-9-14(13)21-18)19-15(17(23)24)10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,22)(H,20,21)(H,23,24)