N-({4-[4-(2-Methyl-1H-Imidazol-1-Yl)Butyl]Phenyl}Acetyl)-L-Seryl-N-(2-Cyclohexylethyl)-L-Lysinamide

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Properties Simple | Detailed

Formula C33H52N6O4
IUPAC Name (2s)-6-amino-n-(2-cyclohexylethyl)-2-[[(2s)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-ium-2-ylium-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]hexanamide
Molecular Mass 596.804 g·mol−1
Heat of Formation -856.3 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 776.47 Å 3
Surface Area 664.99 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-amino-n-(2-cyclohexylethyl)-2-[[(2s)-3-hydroxy-2-[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]ethanoylamino]propanoyl]amino]hexanamide
  • (2s)-6-amino-n-(2-cyclohexylethyl)-2-[[(2s)-3-hydroxy-2-[[2-[4-[4-(2-methyl-1-imidazolyl)butyl]phenyl]-1-oxoethyl]amino]-1-oxopropyl]amino]hexanamide
  • (2s)-6-amino-n-(2-cyclohexylethyl)-2-[[(2s)-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanoyl]amino]hexanamide
  • [cyclohexylethyl]-[[[[4-[2-methyl-1-imidazolyl-butyl]phenyl]acetyl]-seryl]-lysinyl]-amine
  • l-lysinamide, n-((4-(4-(2-methyl-1h-imidazol-1-yl)butyl)phenyl)acetyl)-l-seryl-n1-(2-cyclohexylethyl)-
  • l-lysinamide, n-[[4-[4-(2-methyl-1h-imidazol-1-yl)butyl]phenyl]acetyl]-l-seryl-n1-(2-cyclohexylethyl)-
  • mim
  • sc 58272
  • sc-58272
CAS Number(s)
  • 164931-25-3
InChIKey WHLPIOSHBKQGHA-KYJUHHDHSA-N
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