(2S)-1-[(2S,4R)-4-Benzyl-2-Hydroxy-5-{[(1S,2R,5S)-2-Hydroxy-5-Methylcyclopentyl]Amino}-5-Oxopentyl]-4-{[6-Chloro-5-(4-Methyl-1-Piperazinyl)-2-Pyrazinyl]Carbonyl}-N-(2-Methyl-2-Propanyl)-2-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C37H55ClN8O5
IUPAC Name (1s,2s)-1-[(2s,4r)-4-benzyl-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methyl-cyclopentyl]amino]-5-oxo-pentyl]-n-tert-butyl-4-[6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-2-carboxamide
Molecular Mass 727.336 g·mol−1
Heat of Formation -831.3 ± 16.7 kJ·mol−1
Dipole Moment 7.31 ± 1.08 D
Volume 889.39 Å 3
Surface Area 648.72 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s,4r)-4-(benzyl)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methyl-cyclopentyl]amino]-5-keto-pentyl]-n-tert-butyl-4-[6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonyl]piperazine-2-carboxamide
  • (2s)-n-tert-butyl-4-[6-chloro-5-(4-methylpiperazin-1-yl)pyrazin-2-yl]carbonyl-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methyl-cyclopentyl]amino]-5-oxo-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
  • (2s)-n-tert-butyl-4-[6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonyl]-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methyl-cyclopentyl]amino]-5-oxo-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
  • (2s)-n-tert-butyl-4-[6-chloro-5-(4-methylpiperazin-1-yl)pyrazine-2-carbonyl]-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methylcyclopentyl]amino]-5-oxo-4-(phenylmethyl)pentyl]piperazine-2-carboxamide
  • (2s)-n-tert-butyl-4-[[6-chloro-5-(4-methyl-1-piperazinyl)-2-pyrazinyl]-oxomethyl]-1-[(2s,4r)-2-hydroxy-5-[[(1s,2r,5s)-2-hydroxy-5-methylcyclopentyl]amino]-5-oxo-4-(phenylmethyl)pentyl]-2-piperazinecarboxamide
  • 3in
  • n-[2(s)-cyclopentyl-1(r)-hydroxy-3(r)methyl]-5-[(2(s)-tertiary-butylamino-carbonyl)-4-(n1-(2)-(n-methylpiperazinyl)-3-chloro-pyrazinyl-5-carbonyl)-piperazino]-4(s)-hydroxy-2(r)-phenylmethyl-pentanamide
InChIKey SQZXWXXIPWXBCL-CYTJBAGBSA-N
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