Benzyl (2S)-2-{2-[(2S)-1-(Benzyloxy)-1-Oxo-2-Propanyl]-2H-Tetrazol-5-Yl}-1-Pyrrolidinecarboxylate

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Properties Simple | Detailed

Formula C23H25N5O4
IUPAC Name benzyl (2s)-2-[2-[(1s)-2-benzyloxy-1-methyl-2-oxo-ethyl]tetrazol-5-yl]pyrrolidine-1-carboxylate
Molecular Mass 435.476 g·mol−1
Heat of Formation -186.3 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 521.0 Å 3
Surface Area 451.35 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[(1s)-1-methyl-2-oxo-2-(phenylmethoxy)ethyl]-5-tetrazolyl]-1-pyrrolidinecarboxylic acid phenylmethyl ester
  • (2s)-2-[2-[(1s)-2-(benzyloxy)-2-keto-1-methyl-ethyl]tetrazol-5-yl]pyrrolidine-1-carboxylic acid benzyl ester
  • 2h-tetrazole-2-acetic acid, alpha-methyl-5-(1-((phenylmethoxy)carbonyl)-2-pyrrolidinyl)-, phenylmethyl ester, (s-(r*,r*))-
  • benzyloxycarbonyl-prolyl-psi(cn4)-alanine benzyl ester
  • phenylmethyl (2s)-2-[2-[(1s)-1-methyl-2-oxo-2-(phenylmethoxy)ethyl]tetrazol-5-yl]pyrrolidine-1-carboxylate
  • phenylmethyl (2s)-2-[2-[(2s)-1-oxo-1-(phenylmethoxy)propan-2-yl]-1,2,3,4-tetrazol-5-yl]pyrrolidine-1-carboxylate
CAS Number(s)
  • 134124-09-7
InChIKey CTOJUTZJTIAACJ-PXNSSMCTSA-N
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