N-(4-{[(2R)-2-Carboxy-1-Pyrrolidinyl]Sulfonyl}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C17H20N2O9S
IUPAC Name (2s)-2-[[4-[(2r)-2-carboxypyrrolidin-1-yl]sulfonylbenzoyl]amino]pentanedioic acid
Molecular Mass 428.414 g·mol−1
Heat of Formation -1563.7 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 470.13 Å 3
Surface Area 404.55 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2r)-2-carboxypyrrolidin-1-yl]sulfonylbenzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2r)-2-carboxypyrrolidin-1-yl]sulfonylbenzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2r)-2-carboxypyrrolidin-1-yl]sulfonylphenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[[(2r)-2-carboxy-1-pyrrolidinyl]sulfonyl]phenyl]-oxomethyl]amino]pentanedioic acid
  • 4-[[glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline
  • tp3
InChIKey NDDOUBGQRWFVQM-QWHCGFSZSA-N
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