(2R,5S)-5-Amino-2-Benzyl-8-[(Diaminomethylene)Amino]-4-Oxooctanoic Acid

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Properties Simple | Detailed

Formula C16H24N4O3
IUPAC Name (2r,5s)-5-amino-2-benzyl-8-guanidino-4-oxo-octanoic acid
Molecular Mass 320.387 g·mol−1
Heat of Formation -467.3 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 407.64 Å 3
Surface Area 363.6 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,5s)-5-amino-2-(benzyl)-8-guanidino-4-keto-caprylic acid
  • (2r,5s)-5-amino-8-(diaminomethylideneamino)-4-oxo-2-(phenylmethyl)octanoic acid
  • (2r,5s)-5-amino-8-guanidino-4-oxo-2-(phenylmethyl)octanoic acid
InChIKey FQRLGZIGRMSTAX-OLZOCXBDSA-N
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