4-{[(2S)-1-({4-[(Diaminomethylene)Amino]Butyl}Amino)-4-Methyl-1-Oxo-2-Pentanyl]Amino}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C15H29N5O4
IUPAC Name 4-[[(1s)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]amino]-4-oxo-butanoic acid
Molecular Mass 343.422 g·mol−1
Heat of Formation -874.2 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 455.32 Å 3
Surface Area 396.44 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-4-((1-(((4-((aminoiminoethyl)amino)butyl)amino)carbonyl)-3-methylbutyl)amino)-4-oxobutanoic acid
  • 4-[[(1s)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]amino]-4-keto-butyric acid
  • 4-[[(1s)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]amino]-4-oxo-butanoic acid
  • 4-[[(1s)-1-[(4-guanidinobutylamino)-oxomethyl]-3-methylbutyl]amino]-4-oxobutanoic acid
  • 4-[[(2s)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxo-pentan-2-yl]amino]-4-oxo-butanoic acid
  • 4-[[(2s)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
  • butanoic acid, 4-((1-(((4-((aminoiminoethyl)amino)butyl)amino)carbonyl)-3-methylbutyl)amino)-4-oxo-, (s)-
  • succinyl-leucyl-agmatine
CAS Number(s)
  • 126673-18-5
InChIKey FABIUMFYPFHSRV-NSHDSACASA-N
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