Kelatorphan

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Properties Simple | Detailed

Formula C14H18N2O5
IUPAC Name (2s)-2-[[(2r)-2-benzyl-4-(hydroxyamino)-4-oxo-butanoyl]amino]propanoic acid
Molecular Mass 294.303 g·mol−1
Heat of Formation -764.7 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 363.48 Å 3
Surface Area 302.56 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2r)-2-(benzyl)-4-(hydroxyamino)-4-keto-butanoyl]amino]propionic acid
  • (2s)-2-[[(2r)-4-(hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl]amino]propanoic acid
  • (2s)-2-[[(2r)-4-(hydroxyamino)-4-oxo-2-(phenylmethyl)butanoyl]amino]propanoic acid
  • (3-(n-hydroxy)carboxamido-2-benzylpropanoyl)alanine
  • l-alanine, n-(4-(hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl)-, (r)-
CAS Number(s)
  • 92175-57-0
InChIKey OJCFZTVYDSKXNM-GXSJLCMTSA-N
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