(2S)-2-({(2R)-3-(4-Biphenylyl)-2-[(Ethylsulfonyl)Amino]Propanoyl}Amino)-N~1~-(4-Carbamimidoylbenzyl)Pentanediamide

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Properties Simple | Detailed

Formula C30H36N6O5S
IUPAC Name (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-3-(4-phenylphenyl)propanoyl]amino]pentanediamide
Molecular Mass 592.709 g·mol−1
Heat of Formation -644.1 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 717.35 Å 3
Surface Area 594.63 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(4-amidinobenzyl)-2-[[(2r)-2-(ethylsulfonylamino)-3-(4-phenylphenyl)propanoyl]amino]glutaramide
  • (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-1-oxo-3-(4-phenylphenyl)propyl]amino]pentanediamide
  • (2s)-n-[(4-carbamimidoylphenyl)methyl]-2-[[(2r)-2-(ethylsulfonylamino)-3-(4-phenylphenyl)propanoyl]amino]pentanediamide
  • 2-(3-biphenyl-4-yl-2-ethanesulfonylamino-propionylamino)-pentanedioic acid 5-amide 1-(4-carbamimidoyl-benzylamide)
  • 3bp
InChIKey DSXLGZNVVMZNSK-IZZNHLLZSA-N
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