2-[2-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiazol-4-yl]acetic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)NC2=NC(=CS2)CC(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)NC2=NC(=CS2)CC(=O)O

InChI

InChI=1S/C13H17N3O4S/c17-10(7-16-5-3-1-2-4-11(16)18)15-13-14-9(8-21-13)6-12(19)20/h8H,1-7H2,(H,19,20)(H,14,15,17)