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

Systemtic Name: (2S)-N'-oxidanyl-2-(phenethylcarbamoylamino)-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide Openeye Name: (2S)-8-(hydroxyamino)-8-oxo-2-(phenethylcarbamoylamino)-N-(4-phenylthiazol-2-yl)octanamide CAS Name: (2S)-N'-hydroxy-2-[[oxo-(phenethylamino)methyl]amino]-N-(4-phenyl-2-thiazolyl)octanediamide IUPAC Name: (2S)-N'-hydroxy-2-(phenethylcarbamoylamino)-N-(4-phenyl-1,3-thiazol-2-yl)octanediamide Traditional Name: (2S)-8-(hydroxyamino)-8-keto-2-(phenethylcarbamoylamino)-N-(4-phenylthiazol-2-yl)caprylamide Formula: C26H31N5O4S MolecularWeight: 509.62044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O4S/c32-23(31-35)15-9-3-8-14-21(28-25(34)27-17-16-19-10-4-1-5-11-19)24(33)30-26-29-22(18-36-26)20-12-6-2-7-13-20/h1-2,4-7,10-13,18,21,35H,3,8-9,14-17H2,(H,31,32)(H2,27,28,34)(H,29,30,33)/t21-/m0/s1