2-[3-(1,3-benzothiazol-2-yl)propanoylamino]propanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]propanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]propanoic acid CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]propanoic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C(=O)O)NC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S/c1-8(13(17)18)14-11(16)6-7-12-15-9-4-2-3-5-10(9)19-12/h2-5,8H,6-7H2,1H3,(H,14,16)(H,17,18)