N-[(2S,4S,5S,7R)-4-Amino-8-(Butylamino)-5-Hydroxy-2-Isopropyl-7-Methyl-8-Oxooctyl]-2-(3-Methoxypropoxy)Benzamide

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Properties Simple | Detailed

Formula C27H47N3O5
IUPAC Name n-[(2s,4s,5s,7r)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxo-octyl]-2-(3-methoxypropoxy)benzamide
Molecular Mass 493.679 g·mol−1
Heat of Formation -1080.2 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 665.78 Å 3
Surface Area 570.0 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2s,4s,5s,7r)-4-amino-8-butylamino-5-hydroxy-2-isopropyl-7-methyl-8-oxo-octyl]-2-(3-methoxypropoxy)benzamide
  • n-[(2s,4s,5s,7r)-4-amino-8-butylamino-5-hydroxy-2-isopropyl-7-methyl-8-oxooctyl]-2-(3-methoxypropoxy)benzamide
  • n-[(2s,4s,5s,7r)-4-amino-8-butylamino-5-hydroxy-2-isopropyl-8-keto-7-methyl-octyl]-2-(3-methoxypropoxy)benzamide
  • n-[(2s,4s,5s,7r)-4-amino-8-butylamino-5-hydroxy-7-methyl-8-oxo-2-propan-2-yl-octyl]-2-(3-methoxypropoxy)benzamide
  • n-[(2s,4s,5s,7r)-4-amino-8-butylamino-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]-2-(3-methoxypropoxy)benzamide
InChIKey JYPXLSXKONMTFW-HTDNTCHWSA-N
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