N-[(1S)-8-Amino-1-Carboxyoctyl]-L-Alanyl-L-Proline

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Properties Simple | Detailed

Formula C17H31N3O5
IUPAC Name (2s)-1-[(2s)-2-[[(1s)-8-amino-1-carboxy-octyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 357.445 g·mol−1
Heat of Formation -1063.5 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 463.45 Å 3
Surface Area 401.81 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-[[(1s)-8-amino-1-carboxy-octyl]amino]propanoyl]proline
  • (2s)-1-[(2s)-2-[[(1s)-8-amino-1-carboxy-octyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-[[(1s)-8-amino-1-carboxyoctyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-2-[[(2s)-9-amino-1-hydroxy-1-oxo-nonan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-[[(2s)-9-amino-1-hydroxy-1-oxononan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
  • (s)-1-(n-(8-amino-1-carboxyoctyl)-l-alanyl)-l-proline
  • l-proline, 1-(n-(8-amino-1-carboxyoctyl)-l-alanyl)-, (s)-
CAS Number(s)
  • 120008-53-9
InChIKey BVFMABDUHNUCMQ-IHRRRGAJSA-N
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