N-[(2S)-2-Amino-2-(3,6-Dihydro-1(2H)-Pyridinylcarbonyl)-4-Methylpentanoyl]-N-[(2R)-1-(4-Methoxyphenyl)-3-Oxo-2-Propanyl]-L-Isoleucinamide

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Properties Simple | Detailed

Formula C28H42N4O5
IUPAC Name but-2-yne; (1s,6s)-2-ethynyl-5-oxo-3-(oxomethylene)-7-propyl-6-(2h-pyridine-1-carbonyl)-1,4-diazabicyclo[4.1.0]heptane-4-carbonyl cyanide; formaldehyde
Molecular Mass 514.657 g·mol−1
Heat of Formation -843.0 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 651.07 Å 3
Surface Area 463.86 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(2s,3s)-2-amino-3-methyl-1-oxopentyl]-2-(3,6-dihydro-2h-pyridin-1-yl-oxomethyl)-n-[(1r)-1-formyl-2-(4-methoxyphenyl)ethyl]-4-methylpentanamide
  • (2s)-2-amino-n-[(2s,3s)-2-amino-3-methyl-pentanoyl]-2-(3,6-dihydro-2h-pyridin-1-ylcarbonyl)-n-[(2r)-1-(4-methoxyphenyl)-3-oxo-propan-2-yl]-4-methyl-pentanamide
  • (2s)-2-amino-n-[(2s,3s)-2-amino-3-methyl-pentanoyl]-2-(3,6-dihydro-2h-pyridine-1-carbonyl)-n-[(1r)-1-formyl-2-(4-methoxyphenyl)ethyl]-4-methyl-pentanamide
  • (2s)-2-amino-n-[(2s,3s)-2-amino-3-methyl-pentanoyl]-2-(3,6-dihydro-2h-pyridine-1-carbonyl)-n-[(1r)-1-formyl-2-(4-methoxyphenyl)ethyl]-4-methyl-valeramide
  • (2s)-2-amino-n-[(2s,3s)-2-amino-3-methylpentanoyl]-2-(3,6-dihydro-2h-pyridine-1-carbonyl)-n-[(2r)-1-(4-methoxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide
  • cyclic(l-isoleucyl-l-2-piperidinecarbonyl-l-leucyl-o-methyl-d-tyrosyl)
  • cyclo(d-tyr(me)-l-ile-l-pip-d-leu)
  • cyclo(d-tyr(me)-l-ile-l-pip-l-leu)
  • cyclo(me-tyr-ile-pip-leu)
  • cyclo(methyltyrosyl-isoleucyl-pipecolyl-leucyl)
  • cyclo(tipl)
CAS Number(s)
  • 74245-26-4
InChIKey ZXQMIMZOMRIUBC-FSMARWIQSA-N
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