(2S)-({(2R)-2-[4-(Benzyloxy)-3-Methoxyphenyl]-2-[(4-Carbamimidoylphenyl)Amino]Acetyl}Amino)(Phenyl)Acetic Acid

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Properties Simple | Detailed

Formula C31H42N4O5
IUPAC Name (2s)-2-[[(2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-methoxy-4-(phenylmethoxy)phenyl]acetyl]amino]-2-phenylacetic acid
Molecular Mass 551.697 g·mol−1
Heat of Formation -370.3 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 644.63 Å 3
Surface Area 554.93 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2r)-2-[(4-amidinophenyl)amino]-2-[4-(benzyloxy)-3-methoxy-phenyl]acetyl]amino]-2-phenyl-acetic acid
  • (2s)-2-[[(2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-methoxy-4-(phenylmethoxy)phenyl]-1-oxoethyl]amino]-2-phenylacetic acid
  • (2s)-2-[[(2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-methoxy-4-(phenylmethoxy)phenyl]acetyl]amino]-2-phenyl-acetic acid
  • (2s)-2-[[(2r)-2-[(4-carbamimidoylphenyl)amino]-2-[3-methoxy-4-(phenylmethoxy)phenyl]ethanoyl]amino]-2-phenyl-ethanoic acid
InChIKey WGEGXJPYFSZDMU-IZLXSDGUSA-N
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