(2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-N'-oxidanyl-N-(phenylmethyl)octanediamide

Systemtic Name: (2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-N'-oxidanyl-N-(phenylmethyl)octanediamide Openeye Name: (2S)-N-benzyl-8-(hydroxyamino)-2-[[2-(1H-indol-3-yl)acetyl]amino]-8-oxo-octanamide CAS Name: (2S)-N'-hydroxy-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-N-(phenylmethyl)octanediamide IUPAC Name: (2S)-N-benzyl-N'-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]octanediamide Traditional Name: (2S)-N-benzyl-8-(hydroxyamino)-2-[[2-(1H-indol-3-yl)acetyl]amino]-8-keto-caprylamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CCCCCC(=O)NO)NC(=O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CCCCCC(=O)NO)NC(=O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C25H30N4O4/c30-23(29-33)14-6-2-5-13-22(25(32)27-16-18-9-3-1-4-10-18)28-24(31)15-19-17-26-21-12-8-7-11-20(19)21/h1,3-4,7-12,17,22,26,33H,2,5-6,13-16H2,(H,27,32)(H,28,31)(H,29,30)/t22-/m0/s1