3-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoylamino]propanoic acid

Systemtic Name: 3-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoylamino]propanoic acid Openeye Name: 3-[[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[(1-propyl-2-benzimidazolyl)thio]ethyl]amino]propanoic acid IUPAC Name: 3-[[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]propanoic acid Traditional Name: 3-[[2-[(1-propylbenzimidazol-2-yl)thio]acetyl]amino]propionic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)NCCC(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)NCCC(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-2-9-18-12-6-4-3-5-11(12)17-15(18)22-10-13(19)16-8-7-14(20)21/h3-6H,2,7-10H2,1H3,(H,16,19)(H,20,21)