N-[(Benzyloxy)Carbonyl]-L-Leucyl-N-[(2S)-4-Fluoro-1-(4-Hydroxyphenyl)-3-Oxo-2-Butanyl]-L-Leucinamide

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Properties Simple | Detailed

Formula C30H40FN3O6
IUPAC Name benzyl n-[1-[[1-[[3-fluoro-1-[(4-hydroxyphenyl)methyl]-2-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate
Molecular Mass 557.654 g·mol−1
Heat of Formation -1297.2 ± 16.7 kJ·mol−1
Dipole Moment 6.14 ± 1.08 D
Volume 693.34 Å 3
Surface Area 552.77 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • calpain inhibitor iv
  • n-[(1s)-1-[[(1s)-1-[[(1s)-3-fluoro-1-(4-hydroxybenzyl)-2-keto-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester
  • n-[(1s)-1-[[[(1s)-1-[[[(1s)-3-fluoro-1-[(4-hydroxyphenyl)methyl]-2-oxopropyl]amino]-oxomethyl]-3-methylbutyl]amino]-oxomethyl]-3-methylbutyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-1-[[(1s)-1-[[(1s)-3-fluoro-1-[(4-hydroxyphenyl)methyl]-2-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s)-1-[[(2s)-4-fluoro-1-(4-hydroxyphenyl)-3-oxo-butan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s)-1-[[(2s)-4-fluoro-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
  • z-leu-leu-tyr-ch2f
InChIKey JCRSHQCFRMCMOC-GSDHBNRESA-N
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