{(1S,2R,3S,4S,5S)-5-[(3-Acetylphenyl)Amino]-4-Amino-3-[(Dimethylcarbamoyl)Amino]-3-Ethyl-1,2-Dihydroxy-2-Methylcyclopentyl}Methyl 2-Hydroxy-6-Methylbenzoate

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Properties Simple | Detailed

Formula C28H38N4O7
IUPAC Name formaldehyde; [1-[2-(1-isocyanatoprop-2-ynyl)oxiran-2-yl]-2-oxo-vinyloxy]methyl-methylidyne-ammonium; 2-[[3-(oxomethylene)cyclohexa-1,5-dien-1-yl]amino]acetonitrile; prop-1-yn-1-ol
Molecular Mass 542.624 g·mol−1
Heat of Formation -1213.0 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 651.16 Å 3
Surface Area 500.5 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-6-methyl-benzoic acid [(1s,2r,3s,4s,5s)-5-[(3-acetylphenyl)amino]-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methyl-cyclopentyl]methyl ester
  • 2-hydroxy-6-methylbenzoic acid [(1s,2r,3s,4s,5s)-5-[(3-acetylphenyl)amino]-4-amino-3-[(dimethylamino-oxomethyl)amino]-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl]methyl ester
  • 7-deoxypactamycin
  • [(1s,2r,3s,4s,5s)-4-amino-3-(dimethylcarbamoylamino)-5-[(3-ethanoylphenyl)amino]-3-ethyl-1,2-dihydroxy-2-methyl-cyclopentyl]methyl 2-hydroxy-6-methyl-benzoate
  • [(1s,2r,3s,4s,5s)-5-[(3-acetylphenyl)amino]-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methyl-cyclopentyl]methyl 2-hydroxy-6-methyl-benzoate
  • [(1s,2r,3s,4s,5s)-5-[(3-acetylphenyl)amino]-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
  • benzoic acid, 2-hydroxy-6-methyl-, (5-((3-acetylphenyl)amino)-4-amino-3-(((dimethylamino)carbonyl)amino)-1,2-dihydroxy-3-ethyl-2-methylcyclopentyl)methyl ester, (1s-(1-alpha,2-beta,3-alpha,4-alpha,5-beta))-
  • cranomycin
  • pd 113618
CAS Number(s)
  • 11005-94-0
  • 104820-96-4
InChIKey ZDHIGMAZJWYGPX-YONDKBSQSA-N
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