N-(4-{[(3R)-3-[(4-Biphenylylsulfonyl)(Isopropoxy)Amino]-4-(Hydroxyamino)-4-Oxobutyl]Amino}-4-Oxobutyl)-N'-(4-{[(3S)-3-[(4-Biphenylylsulfonyl)(Isopropoxy)Amino]-4-(Hydroxyamino)-4-Oxobutyl]Amino}-4-Oxobutyl)Isophthalamide

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Properties Simple | Detailed

Formula C54H66N8O14S2
IUPAC Name n1-[4-[[(3s)-4-(hydroxyamino)-3-[isopropoxy-(4-phenylphenyl)sulfonyl-amino]-4-oxo-butyl]amino]-4-oxo-butyl]-n3-[4-[[(3r)-4-(hydroxyamino)-3-[isopropoxy-(4-phenylphenyl)sulfonyl-amino]-4-oxo-butyl]amino]-4-oxo-butyl]benzene-1,3-dicarboxamide
Molecular Mass 1115.277 g·mol−1
Heat of Formation -1718.1 ± 16.7 kJ·mol−1
Dipole Moment 10.11 ± 1.08 D
Volume 1289.61 Å 3
Surface Area 973.54 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • n,n'-bis[4-[[(3s)-4-(hydroxyamino)-3-[isopropoxy-(4-phenylphenyl)sulfonyl-amino]-4-keto-butyl]amino]-4-keto-butyl]isophthalamide
  • n,n'-bis[4-[[(3s)-4-(hydroxyamino)-3-[isopropoxy-(4-phenylphenyl)sulfonyl-amino]-4-oxo-butyl]amino]-4-oxo-butyl]benzene-1,3-dicarboxamide
  • n,n'-bis[4-[[(3s)-4-(hydroxyamino)-3-[isopropoxy-(4-phenylphenyl)sulfonylamino]-4-oxobutyl]amino]-4-oxobutyl]benzene-1,3-dicarboxamide
  • n,n'-bis[4-[[(3s)-4-(hydroxyamino)-4-oxo-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butyl]amino]-4-oxo-butyl]benzene-1,3-dicarboxamide
InChIKey QTGQZAQZBAEHLR-WPVYDPPMSA-N
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