Methyl (3S)-3-(3-Carbamimidoylphenyl)-5-(4-Carbamimidoylphenyl)Pentanoate

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Formula C20H24N4O2
IUPAC Name methyl (3s)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoate
Molecular Mass 352.430 g·mol−1
Heat of Formation -107.2 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 446.56 Å 3
Surface Area 392.76 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(3-amidinophenyl)-5-(4-amidinophenyl)valeric acid methyl ester
  • (3s)-3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoic acid methyl ester
  • +/-methyl 4-(aminoiminomethyl)-beta-[3- inh (aminoimino)phenyl]benzene pentanoate
  • in4
InChIKey PVALLOSAENRPQO-INIZCTEOSA-N
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