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

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Properties Simple | Detailed

Formula C38H47N5O5
IUPAC Name (1s,2s,4r)-1-[(2s,4r)-4-benzyl-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-n-tert-butyl-4-(furo[2,3-b]pyridin-5-ylmethyl)piperazine-2-carboxamide
Molecular Mass 653.810 g·mol−1
Heat of Formation -549.4 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 821.28 Å 3
Surface Area 642.66 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s,4r)-4-(benzyl)-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]-n-tert-butyl-4-(furo[3,2-e]pyridin-5-ylmethyl)piperazine-2-carboxamide
  • (2s)-n-tert-butyl-4-(5-furo[3,2-e]pyridinylmethyl)-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r)-2-hydroxy-1-indanyl]amino]-5-oxo-4-(phenylmethyl)pentyl]-2-piperazinecarboxamide
  • (2s)-n-tert-butyl-4-(furo[3,2-e]pyridin-5-ylmethyl)-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)-n-tert-butyl-4-(furo[3,2-e]pyridin-5-ylmethyl)-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
  • 1-piperazinepentanamide, n-((1s,2r)-2,3-dihydro-2-hydroxy-1h-inden-1-yl)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(furo(2,3-b)pyridin-5-ylmethyl)-gamma-hydroxy-alpha-(phenylmethyl)-, (alphar,gammas,2s)-
  • l-754,394
  • n-(2(r)-hydroxy-1(s)-indany)-2(r)-phenylmethyl-4(s)-hydroxy-5-(1-(4-(5-furo[2,3-b]pyridylmethyl)- 2(s)-n'-(tert-butylcarboxamido)piperazinyl)) pentanamide
CAS Number(s)
  • 160729-91-9
InChIKey UBUFVRJUGFJQSI-PPJSLLJVSA-N
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