Methyl N-{[(3R)-1-Carbamimidoyl-3-Piperidinyl]Acetyl}-4-(Phenylethynyl)-L-Phenylalaninate

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Formula C26H30N4O3
IUPAC Name methyl (2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidyl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate
Molecular Mass 446.541 g·mol−1
Heat of Formation -131.3 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 556.97 Å 3
Surface Area 483.49 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[2-[(3r)-1-amidino-3-piperidyl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propionic acid methyl ester
  • (2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidinyl]-1-oxoethyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoic acid methyl ester
  • (r)-n-[2-[1-(aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-l-phenylalanine methyl ester
  • 2-[3-methyl-4-(n-methyl-guanidino)-butyrylamino]-3-(4-phenylethynyl-phenyl)-propionic acid methyl ester
  • frg
  • methyl (2s)-2-[2-[(3r)-1-carbamimidoylpiperidin-3-yl]ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate
  • methyl (2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidyl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate
  • methyl (2s)-2-[[2-[(3r)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate
InChIKey MRNGXYMKYHNMLV-PKTZIBPZSA-N
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