N-[(5-Methyl-1,2-Oxazol-3-Yl)Carbonyl]-L-Alanyl-L-Valyl-N-{(2S,3E)-5-(Benzyloxy)-5-Oxo-1-[(3S)-2-Oxo-3-Pyrrolidinyl]-3-Penten-2-Yl}-L-Leucinamide

Molecule SVG Image

Properties Simple | Detailed

Formula C35H48N6O8
IUPAC Name benzyl (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methylisoxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
Molecular Mass 680.791 g·mol−1
Heat of Formation -1255.2 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 847.62 Å 3
Surface Area 710.98 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-(4s,6s)-8-methyl-6-((s)-3-methyl-2-{(s)-2-[(5-methyl-isoxazole-3-carbonyl)-amino]-propionylamino}-butyrylamino)-5-oxo-4-((r)-2-oxo-pyrrolidin-3-ylmethyl)-non-2-enoic acid benzyl ester
  • (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]pent-2-enoic acid phenylmethyl ester
  • (e,4s)-5-[(3s)-2-ketopyrrolidin-3-yl]-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methylisoxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]pent-2-enoic acid benzyl ester
  • n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
  • phenylmethyl (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
  • phenylmethyl (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methyl1,2-oxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
  • phenylmethyl (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methylisoxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
InChIKey IDBWWEGDLCFCTD-VNEMRZQUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N