(2R,3R)-3-({(2S)-1-[(4-Carbamimidamidobutyl)Amino]-4-Methyl-1-Oxo-2-Pentanyl}Carbamoyl)-2-Oxiranecarboxylic Acid

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Properties Simple | Detailed

Formula C15H27N5O5
IUPAC Name (2r,3r)-3-[[(1s)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acid
Molecular Mass 357.405 g·mol−1
Heat of Formation -811.9 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 458.45 Å 3
Surface Area 394.97 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3-[[(1s)-1-[4-(diaminomethyleneazaniumyl)butylcarbamoyl]-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate
  • (2r,3r)-3-[[(2s)-1-[4-(diaminomethylideneazaniumyl)butylamino]-4-methyl-1-oxo-pentan-2-yl]carbamoyl]oxirane-2-carboxylate
  • (2r,3r)-3-[[(2s)-1-[4-(diaminomethylideneazaniumyl)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
  • (2r,3r)-3-[[[(1s)-1-[[4-(diaminomethyleneazaniumyl)butylamino]-oxomethyl]-3-methylbutyl]amino]-oxomethyl]-2-oxiranecarboxylate
CAS Number(s)
  • 66701-25-5
InChIKey LTLYEAJONXGNFG-HBNTYKKESA-N
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