1-{(2R)-2-[2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl}-L-Prolyl-L-Valine

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Formula C18H31N3O6
IUPAC Name (2s)-2-[[(2s)-1-[(2r)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid
Molecular Mass 385.455 g·mol−1
Heat of Formation -1156.9 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 494.17 Å 3
Surface Area 398.88 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-1-[(2r)-2-[2-(hydroxyamino)-2-keto-ethyl]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butyric acid
  • (2s)-2-[[(2s)-1-[(2r)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid
  • (2s)-2-[[(2s)-1-[(2r)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid
  • (2s)-2-[[(2s)-1-[(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
  • (2s)-2-[[[(2s)-1-[(2r)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid
  • l-valine, n-(1-(2-(2-(hydroxyamino)-2-oxoethyl)-4-methyl-1-oxopentyl)-l-prolyl)-, (r)-
  • propioxatin b
CAS Number(s)
  • 102962-95-8
InChIKey PYYCBPABFFOXLZ-IPYPFGDCSA-N
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