N~2~-[(2S,4S,5S)-5-Acetamido-6-Cyclohexyl-4-Hydroxy-2-Isopropylhexanoyl]-L-Glutaminyl-N~5~-(Diaminomethylene)-L-Ornithinamide

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Properties Simple | Detailed

Formula C28H52N8O6
IUPAC Name (2s)-2-[[(2s,4s,5s)-5-acetamido-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoyl]amino]-n-[(1s)-1-carbamoyl-4-guanidino-butyl]pentanediamide
Molecular Mass 596.762 g·mol−1
Heat of Formation -1453.5 ± 16.7 kJ·mol−1
Dipole Moment 11.26 ± 1.08 D
Volume 764.02 Å 3
Surface Area 617.71 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,4s,5s)-5-acetamido-6-cyclohexyl-4-hydroxy-2-isopropyl-1-oxohexyl]amino]-n-[(1s)-1-carbamoyl-4-guanidinobutyl]pentanediamide
  • (2s)-2-[[(2s,4s,5s)-5-acetamido-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoyl]amino]-n-[(1s)-1-carbamoyl-4-guanidino-butyl]glutaramide
  • (2s)-2-[[(2s,4s,5s)-5-acetamido-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoyl]amino]-n-[(1s)-1-carbamoyl-4-guanidino-butyl]pentanediamide
  • (2s)-2-[[(2s,4s,5s)-5-acetamido-6-cyclohexyl-4-hydroxy-2-propan-2-yl-hexanoyl]amino]-n-[(2s)-1-amino-5-(diaminomethylideneamino)-1-oxo-pentan-2-yl]pentanediamide
  • (2s)-2-[[(2s,4s,5s)-5-acetamido-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoyl]amino]-n-[(2s)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
  • n-[[1-[n-acetamidyl]-[1-cyclohexylmethyl-2-hydroxy-4-isopropyl]-but-4-yl]-carbonyl]-glutaminyl-arginyl-amide
  • u0e
InChIKey XTOQWMLQBSGKOK-VUBDRERZSA-N
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