N-(A-Guanidino-3,5-Dihydroxy-4-Isopropylphenylacetyl)Glycine

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Properties Simple | Detailed

Formula C14H20N4O5
IUPAC Name 2-[[(2s)-2-(3,5-dihydroxy-4-isopropyl-phenyl)-2-guanidino-acetyl]amino]acetic acid
Molecular Mass 324.332 g·mol−1
Heat of Formation -841.7 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 385.54 Å 3
Surface Area 325.31 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-2-(3,5-dihydroxy-4-isopropyl-phenyl)-2-guanidino-acetyl]amino]acetic acid
  • 2-[[(2s)-2-(3,5-dihydroxy-4-isopropylphenyl)-2-guanidino-1-oxoethyl]amino]acetic acid
  • 2-[[(2s)-2-(diaminomethylideneamino)-2-(3,5-dihydroxy-4-propan-2-yl-phenyl)ethanoyl]amino]ethanoic acid
  • 2-[[(2s)-2-(diaminomethylideneamino)-2-(3,5-dihydroxy-4-propan-2-ylphenyl)acetyl]amino]acetic acid
  • glycine, n-(n-(aminoiminomethyl)-l-2-(3,5-dihydroxy-4-(1-methylethyl)phenyl)glycyl)-
  • n-(alpha-guanidino-3,5-dihydroxy-4-isopropylphenylacetyl)glycine
  • resorcinomycin a
  • s-resorcinomycin a
CAS Number(s)
  • 100234-70-6
InChIKey QMFJWJLPWNAZMH-LBPRGKRZSA-N
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