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

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Properties Simple | Detailed

Formula C57H64N8O6
IUPAC Name (2s)-n-[(1r)-4-guanidino-1-[[(1s)-1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]butyl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
Molecular Mass 957.168 g·mol−1
Heat of Formation -667.6 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 1204.6 Å 3
Surface Area 931.75 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1r)-4-guanidino-1-[[(1s)-1-(4-hydroxybenzyl)-2-keto-2-(2-phenylethylamino)ethyl]carbamoyl]butyl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
  • (2s)-n-[(1r)-4-guanidino-1-[[(1s)-1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]butyl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
  • (2s)-n-[(1r)-4-guanidino-1-[[[(1s)-1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(2-phenylethylamino)ethyl]amino]-oxomethyl]butyl]-2,6-bis[[1-oxo-2-(4-phenylphenyl)ethyl]amino]hexanamide
  • (2s)-n-[(2r)-5-(diaminomethylideneamino)-1-[[(2s)-3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxo-pentan-2-yl]-2,6-bis[2-(4-phenylphenyl)ethanoylamino]hexanamide
  • (2s)-n-[(2r)-5-(diaminomethylideneamino)-1-[[(2s)-3-(4-hydroxyphenyl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-1-oxopentan-2-yl]-2,6-bis[[2-(4-phenylphenyl)acetyl]amino]hexanamide
InChIKey IFVMSTPAHOWZAK-HLRAQNEOSA-N
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