N-oxidanyl-4-[(2R)-3-oxidanylidene-3-[(phenylmethyl)amino]-2-(3-pyridin-2-ylpropanoylamino)propyl]sulfanyl-butanamide

Systemtic Name: N-oxidanyl-4-[(2R)-3-oxidanylidene-3-[(phenylmethyl)amino]-2-(3-pyridin-2-ylpropanoylamino)propyl]sulfanyl-butanamide Openeye Name: (2R)-N-benzyl-3-[4-(hydroxyamino)-4-oxo-butyl]sulfanyl-2-[3-(2-pyridyl)propanoylamino]propanamide CAS Name: N-hydroxy-4-[[(2R)-3-oxo-2-[[1-oxo-3-(2-pyridinyl)propyl]amino]-3-[(phenylmethyl)amino]propyl]thio]butanamide IUPAC Name: 4-[(2R)-3-(benzylamino)-3-oxo-2-(3-pyridin-2-ylpropanoylamino)propyl]sulfanyl-N-hydroxybutanamide Traditional Name: (2R)-N-benzyl-3-[[4-(hydroxyamino)-4-keto-butyl]thio]-2-[3-(2-pyridyl)propanoylamino]propionamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CSCCCC(=O)NO)NC(=O)CCC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CSCCCC(=O)NO)NC(=O)CCC2=CC=CC=N2

InChI

InChI=1S/C22H28N4O4S/c27-20(12-11-18-9-4-5-13-23-18)25-19(16-31-14-6-10-21(28)26-30)22(29)24-15-17-7-2-1-3-8-17/h1-5,7-9,13,19,30H,6,10-12,14-16H2,(H,24,29)(H,25,27)(H,26,28)/t19-/m0/s1