(2R)-2-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoylamino]butanoic acid

Systemtic Name: (2R)-2-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoylamino]butanoic acid Openeye Name: (2R)-2-[[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoic acid CAS Name: (2R)-2-[[1-oxo-2-[(1-propyl-2-benzimidazolyl)thio]ethyl]amino]butanoic acid IUPAC Name: (2R)-2-[[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoic acid Traditional Name: (2R)-2-[[2-[(1-propylbenzimidazol-2-yl)thio]acetyl]amino]butyric acid Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)NC(CC)C(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)N[C@H](CC)C(=O)O

InChI

InChI=1S/C16H21N3O3S/c1-3-9-19-13-8-6-5-7-12(13)18-16(19)23-10-14(20)17-11(4-2)15(21)22/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,20)(H,21,22)/t11-/m1/s1