(2S)-N'-oxidanyl-N-(4-phenyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)octanediamide

Systemtic Name: (2S)-N'-oxidanyl-N-(4-phenyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)octanediamide Openeye Name: (2S)-8-(hydroxyamino)-8-oxo-N-(4-phenylthiazol-2-yl)-2-(2-thienylsulfonylamino)octanamide CAS Name: (2S)-N'-hydroxy-N-(4-phenyl-2-thiazolyl)-2-(thiophen-2-ylsulfonylamino)octanediamide IUPAC Name: (2S)-N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)octanediamide Traditional Name: (2S)-8-(hydroxyamino)-8-keto-N-(4-phenylthiazol-2-yl)-2-(2-thienylsulfonylamino)caprylamide Formula: C21H24N4O5S3 MolecularWeight: 508.63406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(CCCCCC(=O)NO)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](CCCCCC(=O)NO)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N4O5S3/c26-18(24-28)11-6-2-5-10-16(25-33(29,30)19-12-7-13-31-19)20(27)23-21-22-17(14-32-21)15-8-3-1-4-9-15/h1,3-4,7-9,12-14,16,25,28H,2,5-6,10-11H2,(H,24,26)(H,22,23,27)/t16-/m0/s1