2-[2-oxidanylidene-3-(1,3-thiazol-4-ylcarbonylamino)azepan-1-yl]propanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-(1,3-thiazol-4-ylcarbonylamino)azepan-1-yl]propanoic acid Openeye Name: 2-[2-oxo-3-(thiazole-4-carbonylamino)azepan-1-yl]propanoic acid CAS Name: 2-[2-oxo-3-[[oxo(4-thiazolyl)methyl]amino]-1-azepanyl]propanoic acid IUPAC Name: 2-[2-oxo-3-(1,3-thiazole-4-carbonylamino)azepan-1-yl]propanoic acid Traditional Name: 2-[2-keto-3-(thiazole-4-carbonylamino)azepan-1-yl]propionic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCCC(C1=O)NC(=O)C2=CSC=N2

Isomeric SMILES

CC(C(=O)O)N1CCCCC(C1=O)NC(=O)C2=CSC=N2

InChI

InChI=1S/C13H17N3O4S/c1-8(13(19)20)16-5-3-2-4-9(12(16)18)15-11(17)10-6-21-7-14-10/h6-9H,2-5H2,1H3,(H,15,17)(H,19,20)