(2S,4S,5S)-5-{[(2S)-2-{(3R)-3-Benzyl-4-[(4-Methyl-1-Piperazinyl)Carbonyl]-2-Oxo-1-Piperazinyl}Hexanoyl]Amino}-N-Butyl-6-Cyclohexyl-4-Hydroxy-2-Isopropylhexanamide

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Properties Simple | Detailed

Formula C42H70N6O5
IUPAC Name (2s,4s,5s)-5-[[(2s)-2-[(3r)-3-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxo-piperazin-1-yl]hexanoyl]amino]-n-butyl-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanamide
Molecular Mass 739.042 g·mol−1
Heat of Formation -1167.8 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 979.75 Å 3
Surface Area 743.47 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 3.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3r)-3-benzyl-4-n-(4-methylpiperazin-1-yl-carbonyl)2-ketopiperazin-1-yl]-hexanoic acid amide of (2r,4s,5s)-5-amino-6-cyclohexyl-4-hydroxy-2-iso-propylhexanoyl n-(n-amide)
  • (2s,4s,5s)-5-[[(2s)-2-[(3r)-3-(benzyl)-2-keto-4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]hexanoyl]amino]-n-butyl-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanamide
  • (2s,4s,5s)-n-butyl-6-cyclohexyl-4-hydroxy-2-isopropyl-5-[[(2s)-2-[(3r)-4-(4-methylpiperazine-1-carbonyl)-2-oxo-3-(phenylmethyl)piperazin-1-yl]hexanoyl]amino]hexanamide
  • (2s,4s,5s)-n-butyl-6-cyclohexyl-4-hydroxy-2-isopropyl-5-[[(2s)-2-[(3r)-4-[(4-methyl-1-piperazinyl)-oxomethyl]-2-oxo-3-(phenylmethyl)-1-piperazinyl]-1-oxohexyl]amino]hexanamide
  • (2s,4s,5s)-n-butyl-6-cyclohexyl-4-hydroxy-5-[[(2s)-2-[(3r)-4-(4-methylpiperazin-1-yl)carbonyl-2-oxo-3-(phenylmethyl)piperazin-1-yl]hexanoyl]amino]-2-propan-2-yl-hexanamide
  • (2s,4s,5s)-n-butyl-6-cyclohexyl-4-hydroxy-5-[[(2s)-2-[(3r)-4-(4-methylpiperazine-1-carbonyl)-2-oxo-3-(phenylmethyl)piperazin-1-yl]hexanoyl]amino]-2-propan-2-ylhexanamide
  • 1-piperazineacetamide, alpha-butyl-n-[(1s,2s,4s)-4-[(butylamino)carbonyl]-1-(cyclohexylmethyl)-2-hydroxy-5-methylhexyl]-4-[(4-methyl-1-piperazinyl)carbonyl]-2-oxo-3-(phenylmethyl)-, (alphas,3r)-
  • a-70450
  • ods-pss-lyw-cha-vas-lyt
InChIKey NGCGSAFHWCZMPV-AKHKZFQHSA-N
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