(2R)-2-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: (2R)-2-[2-(1-propylbenzimidazol-2-yl)sulfanylethanoylamino]butanoate Openeye Name: (2R)-2-[[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate CAS Name: (2R)-2-[[1-oxo-2-[(1-propyl-2-benzimidazolyl)thio]ethyl]amino]butanoate IUPAC Name: (2R)-2-[[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: (2R)-2-[[2-[(1-propylbenzimidazol-2-yl)thio]acetyl]amino]butyrate Formula: C16H20N3O3S- MolecularWeight: 334.4133

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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)/p-1/t11-/m1/s1