5-oxidanylidene-6-[[2-(pyridin-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]hexanoic acid

Systemtic Name: 5-oxidanylidene-6-[[2-(pyridin-2-ylmethylcarbamoylamino)-1,3-thiazol-4-yl]carbonylamino]hexanoic acid Openeye Name: 5-oxo-6-[[2-(2-pyridylmethylcarbamoylamino)thiazole-4-carbonyl]amino]hexanoic acid CAS Name: 5-oxo-6-[[oxo-[2-[[oxo-(2-pyridinylmethylamino)methyl]amino]-4-thiazolyl]methyl]amino]hexanoic acid IUPAC Name: 5-oxo-6-[[2-(pyridin-2-ylmethylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]hexanoic acid Traditional Name: 5-keto-6-[[2-(2-pyridylmethylcarbamoylamino)thiazole-4-carbonyl]amino]hexanoic acid Formula: C17H19N5O5S MolecularWeight: 405.42826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)NC2=NC(=CS2)C(=O)NCC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)NC2=NC(=CS2)C(=O)NCC(=O)CCCC(=O)O

InChI

InChI=1S/C17H19N5O5S/c23-12(5-3-6-14(24)25)9-19-15(26)13-10-28-17(21-13)22-16(27)20-8-11-4-1-2-7-18-11/h1-2,4,7,10H,3,5-6,8-9H2,(H,19,26)(H,24,25)(H2,20,21,22,27)