(2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-oxidanyl-6-[[(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]hexanamide

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-oxidanyl-6-[[(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]hexanamide Openeye Name: (2S)-N-[(5S)-6-(hydroxyamino)-5-[isobutyl(p-tolylsulfonyl)amino]-6-oxo-hexyl]-3-phenyl-2-(2-thienylsulfonylamino)propanamide CAS Name: (2S)-N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-1-oxo-3-phenyl-2-(thiophen-2-ylsulfonylamino)propyl]amino]hexanamide IUPAC Name: (2S)-N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]hexanamide Traditional Name: (2S)-N-[(5S)-6-(hydroxyamino)-5-[isobutyl(tosyl)amino]-6-keto-hexyl]-3-phenyl-2-(2-thienylsulfonylamino)propionamide Formula: C30H40N4O7S3 MolecularWeight: 664.8562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3)C(=O)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3)C(=O)NO

InChI

InChI=1S/C30H40N4O7S3/c1-22(2)21-34(44(40,41)25-16-14-23(3)15-17-25)27(30(36)32-37)12-7-8-18-31-29(35)26(20-24-10-5-4-6-11-24)33-43(38,39)28-13-9-19-42-28/h4-6,9-11,13-17,19,22,26-27,33,37H,7-8,12,18,20-21H2,1-3H3,(H,31,35)(H,32,36)/t26-,27-/m0/s1