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

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Properties Simple | Detailed

Formula C13H18N4O5
IUPAC Name 2-[[(2s)-2-(4-ethyl-3,5-dihydroxy-phenyl)-2-guanidino-acetyl]amino]acetic acid
Molecular Mass 310.306 g·mol−1
Heat of Formation -822.9 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 366.55 Å 3
Surface Area 311.69 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-2-(4-ethyl-3,5-dihydroxy-phenyl)-2-guanidino-acetyl]amino]acetic acid
  • 2-[[(2s)-2-(4-ethyl-3,5-dihydroxyphenyl)-2-guanidino-1-oxoethyl]amino]acetic acid
  • 2-[[(2s)-2-(diaminomethylideneamino)-2-(4-ethyl-3,5-dihydroxy-phenyl)ethanoyl]amino]ethanoic acid
  • glycine, n-(n-(aminoiminomethyl)-l-2-(4-ethyl-3,5-dihydroxyphenyl)glycyl)-
  • n-(alpha-guanidino-3,5-dihydroxy-4-ethylphenylacetyl)glycine
  • resorcinomycin b
CAS Number(s)
  • 100234-69-3
InChIKey SYZOREHQSLMKDW-NSHDSACASA-N
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