(6S,7S,12S,13S,17S)-6-Benzyl-12-(Cyclohexylmethyl)-7,13-Dihydroxy-17-Isobutyl-2,2-Dimethyl-4,10,15-Trioxo-3-Oxa-5,11,16-Triazaoctadecan-18-Oic Acid

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Properties Simple | Detailed

Formula C34H55N3O8
IUPAC Name (2s)-2-[[(3s,4s)-4-[[(4s,5s)-5-(tert-butoxycarbonylamino)-4-hydroxy-6-phenyl-hexanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoyl]amino]-4-methyl-pentanoic acid
Molecular Mass 633.816 g·mol−1
Heat of Formation -1843.4 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 820.71 Å 3
Surface Area 670.82 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(3s,4s)-4-[[(4s,5s)-5-(tert-butoxycarbonylamino)-4-hydroxy-6-phenyl-hexanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoyl]amino]-4-methyl-pentanoic acid
  • (2s)-2-[[(3s,4s)-4-[[(4s,5s)-5-(tert-butoxycarbonylamino)-4-hydroxy-6-phenyl-hexanoyl]amino]-5-cyclohexyl-3-hydroxy-pentanoyl]amino]-4-methyl-valeric acid
  • (2s)-2-[[(3s,4s)-4-[[(4s,5s)-5-[(tert-butoxy-oxomethyl)amino]-4-hydroxy-1-oxo-6-phenylhexyl]amino]-5-cyclohexyl-3-hydroxy-1-oxopentyl]amino]-4-methylpentanoic acid
  • (2s)-2-[[(3s,4s)-5-cyclohexyl-3-hydroxy-4-[[(4s,5s)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-hexanoyl]amino]pentanoyl]amino]-4-methyl-pentanoic acid
  • (2s)-2-[[(3s,4s)-5-cyclohexyl-3-hydroxy-4-[[(4s,5s)-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoyl]amino]pentanoyl]amino]-4-methylpentanoic acid
  • boc-fog-chs-leu
InChIKey UYUPAZNZXXOTIF-ZIUUJSQJSA-N
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