N-[(Benzyloxy)Carbonyl]-L-Isoleucyl-N-[(2S)-1-Carboxy-4,4-Difluoro-1-Oxo-2-Butanyl]-L-Leucinamide

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Properties Simple | Detailed

Formula C25H35F2N3O7
IUPAC Name (3s)-3-[[(2s)-2-[[(2s,3s)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-oxo-pentanoic acid
Molecular Mass 527.558 g·mol−1
Heat of Formation -1739.5 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 638.78 Å 3
Surface Area 522.82 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[[(2s)-2-[[(2s,3s)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-keto-valeric acid
  • (3s)-5,5-difluoro-3-[[(2s)-4-methyl-2-[[(2s,3s)-3-methyl-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]pentyl]amino]-1-oxopentyl]amino]-2-oxopentanoic acid
  • (3s)-5,5-difluoro-3-[[(2s)-4-methyl-2-[[(2s,3s)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-2-oxo-pentanoic acid
  • (3s)-5,5-difluoro-3-[[(2s)-4-methyl-2-[[(2s,3s)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-2-oxopentanoic acid
  • l-leucinamide, n-[(phenylmethoxy)carbonyl]-l-isoleucyl-n1-[(1s)-1-(carboxycarbonyl)-3,3-difluoropropyl]-
InChIKey IXLOEMUNKMDCDV-CAIZAGQASA-N
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