N-oxidanyl-4-[(2R)-3-oxidanylidene-2-[[(E)-3-phenylprop-2-enoyl]amino]-3-(pyridin-4-ylmethylamino)propyl]sulfanyl-butanamide

Systemtic Name: N-oxidanyl-4-[(2R)-3-oxidanylidene-2-[[(E)-3-phenylprop-2-enoyl]amino]-3-(pyridin-4-ylmethylamino)propyl]sulfanyl-butanamide Openeye Name: (2R)-3-[4-(hydroxyamino)-4-oxo-butyl]sulfanyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-N-(4-pyridylmethyl)propanamide CAS Name: N-hydroxy-4-[[(2R)-3-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-(pyridin-4-ylmethylamino)propyl]thio]butanamide IUPAC Name: N-hydroxy-4-[(2R)-3-oxo-2-[[(E)-3-phenylprop-2-enoyl]amino]-3-(pyridin-4-ylmethylamino)propyl]sulfanylbutanamide Traditional Name: (2R)-3-[[4-(hydroxyamino)-4-keto-butyl]thio]-2-[[(E)-3-phenylacryloyl]amino]-N-(4-pyridylmethyl)propionamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(CSCCCC(=O)NO)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)N[C@@H](CSCCCC(=O)NO)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C22H26N4O4S/c27-20(9-8-17-5-2-1-3-6-17)25-19(16-31-14-4-7-21(28)26-30)22(29)24-15-18-10-12-23-13-11-18/h1-3,5-6,8-13,19,30H,4,7,14-16H2,(H,24,29)(H,25,27)(H,26,28)/b9-8+/t19-/m0/s1