L-α-Glutamyl-N-{(2S)-3-Methyl-2-[(4-Nitrophenyl)Amino]Butanoyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C21H29N5O7
IUPAC Name nitronium (4s)-4-amino-5-[(2s)-2-[[(2s)-2-[[(e)-1-ethylprop-1-enyl]amino]-3-methyl-butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoate
Molecular Mass 463.484 g·mol−1
Heat of Formation -938.0 ± 16.7 kJ·mol−1
Dipole Moment 8.74 ± 1.08 D
Volume 541.25 Å 3
Surface Area 455.32 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-amino-5-[(2s)-2-[[(2s)-3-methyl-2-[(4-nitrophenyl)amino]butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid
  • (4s)-4-amino-5-[(2s)-2-[[(2s)-3-methyl-2-[(4-nitrophenyl)amino]butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
  • (4s)-4-amino-5-[(2s)-2-[[[(2s)-3-methyl-2-[(4-nitrophenyl)amino]-1-oxobutyl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid
  • (4s)-4-amino-5-keto-5-[(2s)-2-[[(2s)-3-methyl-2-[(4-nitrophenyl)amino]butanoyl]carbamoyl]pyrrolidin-1-yl]valeric acid
  • l-valinamide, l-alpha-glutamyl-l-prolyl-n-(4-nitrophenyl)-
  • pyro-glu-pro-val-pna
  • pyroglutamyl-proly-valine-4-nitroanilide
  • s 2484
  • s-2484
CAS Number(s)
  • 86190-22-9
InChIKey QVTBYJZQQRTQII-BQFCYCMXSA-N
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