N-{[(2S)-1-(L-Tyrosyl)-2-Pyrrolidinyl]Methyl}-L-Phenylalanyl-L-Prolylglycine

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Properties Simple | Detailed

Formula C30H39N5O6
IUPAC Name 2-[[(2s)-1-[(2s)-2-[[(2s)-1-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylamino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
Molecular Mass 565.661 g·mol−1
Heat of Formation -975.1 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 705.74 Å 3
Surface Area 496.61 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2s)-1-[(2s)-2-[[(2s)-1-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoic acid
  • 2-[[(2s)-1-[(2s)-2-[[(2s)-1-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylamino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
  • 2-[[(2s)-1-[(2s)-2-[[(2s)-1-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
  • 2-[[[(2s)-1-[(2s)-2-[[(2s)-1-[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]methylamino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]acetic acid
  • cm 2-3
  • glycine, n-(1-(n-((1-(2-amino-3-(4-hydroxyphenyl)-1-oxopropyl)-2-pyrrolidinyl)methyl)-l-phenylalanyl)-l-prolyl)-, (s-(r*,r*))-
  • tyr-pro-psi(ch2-nh)-phe-pro-gly
  • tyrosyl-prolyl-psi(methylamino)-phenylalanyl-prolyl-glycine
CAS Number(s)
  • 138474-03-0
InChIKey NQIQNYXFRNTZPC-GKXKVECMSA-N
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