(2S)-4-(1-Benzofuran-2-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

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Properties Simple | Detailed

Formula C39H48N4O5
IUPAC Name (1s,2s,4r)-4-(benzofuran-2-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 652.822 g·mol−1
Heat of Formation -602.0 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 816.21 Å 3
Surface Area 644.67 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-(1-benzofuran-2-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-(2-benzofuranylmethyl)-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-(benzofuran-2-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-(benzofuran-2-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
  • l-756,423
  • l75
  • n-(2(r)-hydroxy-1(s)-indanyl)-2(r)-phenylmethyl-4(s)-hydroxy-5-{1-[4-(2-benzo[b]furanylmethyl)-2(s)-n'-(.tert.-butylcarboxamido)-piperazinyl]}-pentaneamide
InChIKey AOMZDQMIOCTPQP-QHQMVRJISA-N
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