N-(4-Carboxybutanoyl)-L-Alanyl-N-{[(2S)-1-Ethyl-2-Pyrrolidinyl]Carbonyl}-L-Alaninamide

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Properties Simple | Detailed

Formula C18H30N4O6
IUPAC Name 5-[[(1s)-2-[[(1s)-2-[[(1r,2s)-1-ethylpyrrolidine-2-carbonyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 398.454 g·mol−1
Heat of Formation -1211.9 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 498.46 Å 3
Surface Area 448.16 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[(1s)-2-[[(1s)-2-[[(2s)-1-ethylpyrrolidine-2-carbonyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • 5-[[(1s)-2-[[(1s)-2-[[(2s)-1-ethylpyrrolidine-2-carbonyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-5-keto-valeric acid
  • 5-[[(1s)-2-[[(1s)-2-[[[(2s)-1-ethyl-2-pyrrolidinyl]-oxomethyl]amino]-1-methyl-2-oxoethyl]amino]-1-methyl-2-oxoethyl]amino]-5-oxopentanoic acid
  • 5-[[(2s)-1-[[(2s)-1-[[(2s)-1-ethylpyrrolidin-2-yl]carbonylamino]-1-oxo-propan-2-yl]amino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • 5-[[(2s)-1-[[(2s)-1-[[(2s)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  • glutaryl-ala-ala-pro-nh-et
  • glutaryl-alanyl-alanyl-prolylethylamide
  • l-prolinamide, n-(4-carboxy-1-oxobutyl)-l-alanyl-l-alanyl-n-ethyl-
CAS Number(s)
  • 83808-37-1
InChIKey DCWSLGVFOIIQTB-AVGNSLFASA-N
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