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

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Properties Simple | Detailed

Formula C32H42N4O7
IUPAC Name benzyl n-[(1s)-1-[(3r)-3-[[(2s)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-oxo-pyrrolidine-1-carbonyl]-3-methyl-butyl]carbamate
Molecular Mass 594.698 g·mol−1
Heat of Formation -1171.4 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 734.43 Å 3
Surface Area 635.52 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[n[(phenylmethoxy)carbonyl]-l-leucyl-4-[[n/n-[(phenylmethoxy)carbonyl]-/nl-leucyl]amino]-3-pyrrolidinone/n
  • n-[(1s)-1-[(3r)-3-[[(2s)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-keto-pyrrolidine-1-carbonyl]-3-methyl-butyl]carbamic acid benzyl ester
  • n-[(1s)-3-methyl-1-[[(3r)-3-[[(2s)-4-methyl-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]pentyl]amino]-4-oxo-1-pyrrolidinyl]-oxomethyl]butyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-3-methyl-1-[(3r)-3-[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxo-pyrrolidine-1-carbonyl]butyl]carbamate
  • phenylmethyl n-[(2s)-4-methyl-1-[(3r)-3-[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxo-pyrrolidin-1-yl]-1-oxo-pentan-2-yl]carbamate
  • phenylmethyl n-[(2s)-4-methyl-1-[(3r)-3-[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate
InChIKey GXENQLUSOCKXDN-GMQQYTKMSA-N
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