N~2~,N~6~-Bis(4-Biphenylylacetyl)-L-Lysyl-N~5~-(Diaminomethylene)-D-Ornithyl-N-(2-Phenylethyl)-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C57H64N8O5
IUPAC Name (2s)-n-[(1r)-1-[[(1s)-1-benzyl-2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]-4-guanidino-butyl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
Molecular Mass 941.169 g·mol−1
Heat of Formation -472.8 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 1186.76 Å 3
Surface Area 905.01 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1r)-1-[[(1s)-1-(benzyl)-2-keto-2-(2-phenylethylamino)ethyl]carbamoyl]-4-guanidino-butyl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
  • (2s)-n-[(1r)-4-guanidino-1-[[(1s)-2-oxo-2-(2-phenylethylamino)-1-(phenylmethyl)ethyl]carbamoyl]butyl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
  • (2s)-n-[(1r)-4-guanidino-1-[oxo-[[(1s)-2-oxo-2-(2-phenylethylamino)-1-(phenylmethyl)ethyl]amino]methyl]butyl]-2,6-bis[[1-oxo-2-(4-phenylphenyl)ethyl]amino]hexanamide
  • (2s)-n-[(2r)-5-(diaminomethylideneamino)-1-oxo-1-[[(2s)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]pentan-2-yl]-2,6-bis[2-(4-phenylphenyl)ethanoylamino]hexanamide
  • (2s)-n-[(2r)-5-(diaminomethylideneamino)-1-oxo-1-[[(2s)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]amino]pentan-2-yl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
InChIKey YLNSEFZQVOPLSQ-HLRAQNEOSA-N
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