(2S)-N'-oxidanyl-2-[(phenylmethyl)carbamoylamino]-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide

Systemtic Name: (2S)-N'-oxidanyl-2-[(phenylmethyl)carbamoylamino]-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide Openeye Name: (2S)-2-(benzylcarbamoylamino)-8-(hydroxyamino)-8-oxo-N-(4-phenylthiazol-2-yl)octanamide CAS Name: (2S)-N'-hydroxy-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-(4-phenyl-2-thiazolyl)octanediamide IUPAC Name: (2S)-2-(benzylcarbamoylamino)-N'-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide Traditional Name: (2S)-2-(benzylcarbamoylamino)-8-(hydroxyamino)-8-keto-N-(4-phenylthiazol-2-yl)caprylamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(CCCCCC(=O)NO)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)N[C@@H](CCCCCC(=O)NO)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N5O4S/c31-22(30-34)15-9-3-8-14-20(27-24(33)26-16-18-10-4-1-5-11-18)23(32)29-25-28-21(17-35-25)19-12-6-2-7-13-19/h1-2,4-7,10-13,17,20,34H,3,8-9,14-16H2,(H,30,31)(H2,26,27,33)(H,28,29,32)/t20-/m0/s1