N-[(1S)-1-Carboxy-3-Phenylpropyl]-L-Alanyl-N-(2,3-Dihydro-1H-Inden-2-Yl)Glycine

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Properties Simple | Detailed

Formula C24H28N2O5
IUPAC Name (2s)-2-[[(1s)-2-[carboxymethyl(indan-2-yl)amino]-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoic acid
Molecular Mass 424.490 g·mol−1
Heat of Formation -796.1 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 511.4 Å 3
Surface Area 415.62 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1s)-2-(carboxymethyl-(2-indanyl)amino)-1-methyl-2-oxoethyl]amino]-4-phenylbutanoic acid
  • (2s)-2-[[(1s)-2-(carboxymethyl-indan-2-yl-amino)-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(1s)-2-(carboxymethyl-indan-2-yl-amino)-2-keto-1-methyl-ethyl]amino]-4-phenyl-butyric acid
  • (2s)-2-[[(2s)-1-(carboxymethyl-(2,3-dihydro-1h-inden-2-yl)amino)-1-oxo-propan-2-yl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(2s)-1-(carboxymethyl-(2,3-dihydro-1h-inden-2-yl)amino)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
  • glycine, n-((1s)-1-carboxy-3-phenylpropyl)-l-alanyl-n-(2,3-dihydro-1h-inden-2-yl)-
CAS Number(s)
  • 83398-08-7
InChIKey PHASTBJLWIZXKB-KKSFZXQISA-N
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