N-[(1R,2S)-1-Amino-1-Carboxy-2-Propanyl]-L-Histidine

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Properties Simple | Detailed

Formula C10H16N4O4
IUPAC Name (2r,3s)-2-amino-3-[[(1s)-1-carboxy-2-imidazol-3-ium-4-ylium-4-yl-ethyl]amino]butanoic acid
Molecular Mass 256.258 g·mol−1
Heat of Formation -665.7 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 302.99 Å 3
Surface Area 268.18 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2-amino-3-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]amino]butyric acid
  • (2r,3s)-2-amino-3-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]butanoic acid
  • (2r,3s)-2-amino-3-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]amino]butanoic acid
  • (2r,3s)-2-amino-3-[[(2s)-1-hydroxy-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]amino]butanoic acid
  • (2r,3s)-2-amino-3-[[(2s)-1-hydroxy-3-(3h-imidazol-4-yl)-1-oxopropan-2-yl]amino]butanoic acid
  • histidinomethylalanine
  • l-hmeal
  • n(tau)-(2'-amino-2'-carboxy-1'-methylethyl)-l-histidine
CAS Number(s)
  • 88495-09-4
InChIKey STJVSQOCSSJOLM-APQOSEDMSA-N
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