2-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]hexanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]hexanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]hexanoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]hexanoic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-ylamino)propanoylamino]hexanoic acid Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(C)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(C)NC1=NC2=CC=CC=C2S1

InChI

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