N-Methyl-L-Phenylalanyl-3-{[(1S)-1-Carboxy-2-(1H-Imidazol-5-Yl)Ethyl]Amino}-L-Alanine

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Properties Simple | Detailed

Formula C19H25N5O5
IUPAC Name (2s)-2-[[(2s)-2-carboxy-2-[[(2s)-2-(methylamino)-3-phenyl-propanoyl]amino]ethyl]amino]-3-imidazol-3-ium-4-ylium-4-yl-propanoic acid
Molecular Mass 403.432 g·mol−1
Heat of Formation -716.0 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 481.38 Å 3
Surface Area 375.21 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]amino]-2-[[(2s)-2-methylamino-3-phenyl-propanoyl]amino]propionic acid
  • (2s)-3-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-2-[[(2s)-2-methylamino-3-phenyl-propanoyl]amino]propanoic acid
  • (2s)-3-[[(1s)-2-hydroxy-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]amino]-2-[[(2s)-2-methylamino-1-oxo-3-phenylpropyl]amino]propanoic acid
  • (2s)-3-[[(2s)-1-hydroxy-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]amino]-2-[[(2s)-2-methylamino-3-phenyl-propanoyl]amino]propanoic acid
  • (2s)-3-[[(2s)-1-hydroxy-3-(3h-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-[[(2s)-2-methylamino-3-phenylpropanoyl]amino]propanoic acid
  • bmy 28566
  • bu 3619e
  • bu-3619e
CAS Number(s)
  • 134019-80-0
  • 132702-35-3
InChIKey DCMPFCQPELYATG-JYJNAYRXSA-N
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