(2S)-4-(1,3-Benzodioxol-5-Ylmethyl)-1-[(2S,4R)-4-Benzyl-2-Hydroxy-5-{[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Amino}-5-Oxopentyl]-N-(2-Methyl-2-Propanyl)-2-Piperazinecarboxamide (Non-Preferred Name)

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Properties Simple | Detailed

Formula C38H48N4O6
IUPAC Name (1s,2s,4r)-4-(1,3-benzodioxol-5-ylmethyl)-1-[(2s,4r)-4-benzyl-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-n-tert-butyl-piperazine-2-carboxamide
Molecular Mass 656.811 g·mol−1
Heat of Formation -821.6 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 813.07 Å 3
Surface Area 647.93 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-(1,3-benzodioxol-5-ylmethyl)-1-[(2s,4r)-4-(benzyl)-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]-n-tert-butyl-piperazine-2-carboxamide
  • (2s)-4-(1,3-benzodioxol-5-ylmethyl)-n-tert-butyl-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r)-2-hydroxy-1-indanyl]amino]-5-oxo-4-(phenylmethyl)pentyl]-2-piperazinecarboxamide
  • (2s)-4-(1,3-benzodioxol-5-ylmethyl)-n-tert-butyl-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
  • (2s)-4-(1,3-benzodioxol-5-ylmethyl)-n-tert-butyl-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
  • (s)-4-benzo[1,3]dioxol-5-ylmethyl-1-[(2s,4s)-2-hydroxy-4-((1s,2r)-2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-hexyl]-piperazine-2-carboxylic acid, tert-butylamide
  • n-[2(r)-hydroxy-1(s)-indanyl]-5-[(2(s)-tertiary butylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethylpentanamide
  • xn3
InChIKey BJZTWVIYUGVEFV-OQOOGSQVSA-N
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