(2R)-[(4-Carbamimidoylphenyl)Amino]{3-[3-(Dimethylamino)-2,2-Dimethylpropoxy]-5-Ethylphenyl}Acetic Acid

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Formula C24H34N4O3
IUPAC Name (2r)-2-(4-carbamimidoylanilino)-2-[3-[3-(dimethylamino)-2,2-dimethyl-propoxy]-5-ethyl-phenyl]acetic acid
Molecular Mass 426.552 g·mol−1
Heat of Formation -393.7 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 551.55 Å 3
Surface Area 476.88 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(4-amidinophenyl)amino]-2-[3-(3-dimethylamino-2,2-dimethyl-propoxy)-5-ethyl-phenyl]acetic acid
  • (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-(3-dimethylamino-2,2-dimethyl-propoxy)-5-ethyl-phenyl]acetic acid
  • (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-(3-dimethylamino-2,2-dimethyl-propoxy)-5-ethyl-phenyl]ethanoic acid
  • (2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-(3-dimethylamino-2,2-dimethylpropoxy)-5-ethylphenyl]acetic acid
InChIKey VVVFEPKRHINSIE-OAQYLSRUSA-N
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