N-{(3R)-1-[(2S)-2-{[(Benzyloxy)Carbonyl]Amino}-4-Methylpentyl]-4-Oxo-3-Pyrrolidinyl}-N~2~-[(4-Pyridinylmethoxy)Carbonyl]-L-Leucinamide

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Properties Simple | Detailed

Formula C31H43N5O6
IUPAC Name 4-pyridylmethyl n-[(1s)-1-[[(1s,3r)-1-[(2s)-2-(benzyloxycarbonylamino)-4-methyl-pentyl]-4-oxo-pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate
Molecular Mass 581.703 g·mol−1
Heat of Formation -1008.5 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 731.99 Å 3
Surface Area 556.59 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[n-[(phenylmethoxy)carbonyl]-/nl/n-leucyl]amino]-1[(2s)-2-[[[4-(pyridinylmethoxy)carbonyl]amino]-4-methylpent/nyl]-3-pyrrolidinone/n
  • inp
  • n-[(1s)-1-[[(4r)-3-keto-4-[[(2s)-4-methyl-2-(4-pyridylmethoxycarbonylamino)pentanoyl]amino]pyrrolidin-1-yl]methyl]-3-methyl-butyl]carbamic acid benzyl ester
  • n-[(1s)-3-methyl-1-[[(3r)-3-[[(2s)-4-methyl-1-oxo-2-[[oxo-(4-pyridylmethoxy)methyl]amino]pentyl]amino]-4-oxo-1-pyrrolidinyl]methyl]butyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-3-methyl-1-[[(3r)-3-[[(2s)-4-methyl-2-(4-pyridylmethoxycarbonylamino)pentanoyl]amino]-4-oxo-pyrrolidin-1-yl]methyl]butyl]carbamate
  • phenylmethyl n-[(2s)-4-methyl-1-[(3r)-3-[[(2s)-4-methyl-2-(pyridin-4-ylmethoxycarbonylamino)pentanoyl]amino]-4-oxo-pyrrolidin-1-yl]pentan-2-yl]carbamate
  • phenylmethyl n-[(2s)-4-methyl-1-[(3r)-3-[[(2s)-4-methyl-2-(pyridin-4-ylmethoxycarbonylamino)pentanoyl]amino]-4-oxopyrrolidin-1-yl]pentan-2-yl]carbamate
  • pyrrolidinone
InChIKey YCGCXDDZHQMZQY-GMQQYTKMSA-N
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