N-(4-Biphenylylacetyl)-S-Methyl-L-Cysteinyl-D-Arginyl-N-(2-Phenylethyl)-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C41H49N7O4S
IUPAC Name (2r)-n-[(1s)-1-benzyl-2-oxo-2-(2-phenylethylamino)ethyl]-5-guanidino-2-[[(2r)-3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]pentanamide
Molecular Mass 735.937 g·mol−1
Heat of Formation -355.7 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 915.79 Å 3
Surface Area 755.08 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-5-(diaminomethylideneamino)-2-[[(2r)-3-methylsulfanyl-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]-n-[(2s)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
  • (2r)-5-(diaminomethylideneamino)-2-[[(2r)-3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-n-[(2s)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
  • (2r)-5-guanidino-2-[[(2r)-3-(methylthio)-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]-n-[(1s)-2-oxo-2-(2-phenylethylamino)-1-(phenylmethyl)ethyl]pentanamide
  • (2r)-5-guanidino-2-[[(2r)-3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-n-[(1s)-2-oxo-2-(2-phenylethylamino)-1-(phenylmethyl)ethyl]pentanamide
  • (2r)-n-[(1s)-1-(benzyl)-2-keto-2-(2-phenylethylamino)ethyl]-5-guanidino-2-[[(2r)-3-(methylthio)-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]valeramide
InChIKey UYRQVAFRIYOHSH-SBPNQFBHSA-N
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