Batimastat

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Properties Simple | Detailed

Formula C23H31N3O4S2
IUPAC Name (2s,3r)-n-hydroxy-n'-[(2s)-1-methylamino-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
Molecular Mass 477.640 g·mol−1
Heat of Formation -506.4 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 594.96 Å 3
Surface Area 449.25 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1s)-2-(hydroxyamino)-2-oxo-1-(2-thienylsulfanylmethyl)ethyl]-4-methyl-n-[(1s)-2-methylamino-2-oxo-1-(phenylmethyl)ethyl]pentanamide
  • (2r)-2-[(1s)-2-(hydroxyamino)-2-oxo-1-[(2-thienylthio)methyl]ethyl]-4-methyl-n-[(1s)-2-methylamino-2-oxo-1-(phenylmethyl)ethyl]pentanamide
  • (2r)-n-[(1s)-1-(benzyl)-2-keto-2-methylamino-ethyl]-2-[(1s)-2-(hydroxyamino)-2-keto-1-[(2-thienylthio)methyl]ethyl]-4-methyl-valeramide
  • (2s,3r)-5-methyl-3-(((alphas)-alpha-(methylcarbamoyl)phenethyl)carbamoyl)-2-((2-thienylthio)methyl)hexanohydroxamic acid
  • (2s,3r)-n-hydroxy-n'-[(2s)-1-methylamino-1-oxo-3-phenyl-propan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
  • 4-(n-hydroxyamino)-2r-isobutyl-2s-(2-thienylthiomethyl)succinyl-l-phenylalanine-n-methylamide
  • bat
  • batimastat (usan)
  • bb 94
  • bb-94
  • bb-99
  • bb94
  • bb94, bb-94
  • butanediamide, n(sup 4)-hydroxy-n(sup 1)-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((2-thienylthio)methyl)-, (2r-(1(s*),2r*,3s*))-
  • butanediamide, n4-hydroxy-n1-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((2-thienylthio)methyl)-, (2r-(1(s*),2r*,3s*))-
  • d03061
  • dsx
  • isv-120
  • isv-615
CAS Number(s)
  • 130370-60-4
InChIKey XFILPEOLDIKJHX-QYZOEREBSA-N
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