(2R)-2-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methyl-propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[2-(1H-benzimidazol-2-ylmethylthio)-2-methyl-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-2-methylpropanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[2-(1H-benzimidazol-2-ylmethylthio)-2-methyl-propanoyl]amino]-3-mercapto-propionic acid Formula: C15H19N3O3S2 MolecularWeight: 353.45966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CS)C(=O)O)SCC1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CS)C(=O)O)SCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C15H19N3O3S2/c1-15(2,14(21)18-11(7-22)13(19)20)23-8-12-16-9-5-3-4-6-10(9)17-12/h3-6,11,22H,7-8H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)/t11-/m0/s1