N-(4-Hydroxybenzoyl)Glycyl-L-Histidyl-L-Leucine

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Properties Simple | Detailed

Formula C21H27N5O6
IUPAC Name (2s)-2-[[(2s)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-imidazol-3-ium-4-ylium-4-yl-propanoyl]amino]-4-methyl-pentanoic acid
Molecular Mass 445.469 g·mol−1
Heat of Formation -971.0 ± 16.7 kJ·mol−1
Dipole Moment 1.00 ± 1.08 D
Volume 539.29 Å 3
Surface Area 455.47 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[2-[(4-hydroxyphenyl)carbonylamino]ethanoylamino]-3-(3h-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoic acid
  • (2s)-2-[[(2s)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(3h-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoic acid
  • (2s)-2-[[(2s)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(3h-imidazol-4-yl)propanoyl]amino]-4-methyl-valeric acid
  • (2s)-2-[[(2s)-2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]-3-(3h-imidazol-4-yl)propanoyl]amino]-4-methylpentanoic acid
  • (2s)-2-[[(2s)-2-[[2-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-(3h-imidazol-4-yl)-1-oxopropyl]amino]-4-methylpentanoic acid
  • 4-hydroxyhippuryl-histidyl-leucine
  • l-leucine, n-(n-(n-(4-hydroxybenzoyl)glycyl)-l-histidyl)-
  • n-(n-(n-(4-hydroxybenzoyl)glycyl)-l-histidyl)-l-leucine
  • ohip-his-leu
CAS Number(s)
  • 77697-23-5
InChIKey IHVRJTCVMKJNRP-IRXDYDNUSA-N
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