(2S,3Ar,6R,7Ar)-6-Hydroxy-1-[(2R)-2-{[(2S)-2-Hydroxy-3-(4-Hydroxyphenyl)Propanoyl]Amino}-4-Methylpentanoyl]Octahydro-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C24H35N3O6
IUPAC Name (2s,3ar,6r,7ar)-6-hydroxy-1-[(2r)-2-[[(2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Molecular Mass 461.551 g·mol−1
Heat of Formation -1210.6 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 562.98 Å 3
Surface Area 450.86 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3ar,6r,7ar)-6-hydroxy-1-[(2r)-2-[[(2s)-2-hydroxy-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
  • (2s,3ar,6r,7ar)-6-hydroxy-1-[(2r)-2-[[(2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
  • (2s,3ar,6r,7ar)-6-hydroxy-1-[(2r)-2-[[(2s)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
InChIKey FEBDAAYWFMTVBF-HYMUMSMOSA-N
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