O-(2-Methyl-2-Propanyl)-L-Threonyl-L-Phenylalanyl-L-Proline

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Properties Simple | Detailed

Formula C22H33N3O5
IUPAC Name (2s)-1-[(2s)-2-[[(2s,3r)-2-amino-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 419.515 g·mol−1
Heat of Formation -1004.3 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 537.96 Å 3
Surface Area 394.45 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-[[(2s,3r)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-[[(2s,3r)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-[[(2s,3r)-2-amino-3-tert-butoxy-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-2-[[(2s,3r)-2-amino-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]proline
  • (2s)-1-[(2s)-2-[[(2s,3r)-2-amino-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
  • l-proline, 1-(n-(o-(1,1-dimethylethyl)-l-threonyl)-l-phenylalanyl)-
  • thr-(o-tert butyl)-phe-pro-oh
  • threonyl-(o-tert-butyl)-phenylalanyl-proline
CAS Number(s)
  • 38510-47-3
InChIKey MIEUBNGIWYESFS-UBDQQSCGSA-N
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