N-[(2S,3S)-1,3-Diamino-4-Methyl-1-Oxo-2-Pentanyl]-L-Histidine

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Properties Simple | Detailed

Formula C12H21N5O3
IUPAC Name (2s)-2-[[(1s,2s)-2-amino-1-carbamoyl-3-methyl-butyl]amino]-3-(1h-imidazol-5-yl)propanoic acid
Molecular Mass 283.327 g·mol−1
Heat of Formation -530.4 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 344.66 Å 3
Surface Area 296.19 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 3.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1s,2s)-2-amino-1-carbamoyl-3-methyl-butyl]amino]-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-[[(1s,2s)-2-amino-1-carbamoyl-3-methyl-butyl]amino]-3-(3h-imidazol-4-yl)propionic acid
  • (2s)-2-[[(1s,2s)-2-amino-1-carbamoyl-3-methylbutyl]amino]-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-[[(2s,3s)-1,3-diamino-4-methyl-1-oxo-pentan-2-yl]amino]-3-(3h-imidazol-4-yl)propanoic acid
  • (2s)-2-[[(2s,3s)-1,3-diamino-4-methyl-1-oxopentan-2-yl]amino]-3-(3h-imidazol-4-yl)propanoic acid
  • l-histidine, n-(2-amino-1-(aminocarbonyl)-3-methylbutyl)-, (s-(r*,r*))-
  • n-(2-amino-1-(aminocarbonyl)-3-methylbutyl)histidine
  • naacb-his
CAS Number(s)
  • 134359-69-6
InChIKey DSVCFDBACLPEHY-GUBZILKMSA-N
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