(2S)-2-{[N-(Ammonioacetyl)Glycyl]Amino}-3-(4-Hydroxyphenyl)Propanoate

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Properties Simple | Detailed

Formula C13H17N3O5
IUPAC Name (2s)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular Mass 295.291 g·mol−1
Heat of Formation -851.9 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 353.03 Å 3
Surface Area 296.61 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-(2-aminoethanoylamino)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid
  • (2s)-2-[[2-(glycylamino)acetyl]amino]-3-(4-hydroxyphenyl)propionic acid
  • (2s)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid
  • (2s)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChIKey INLIXXRWNUKVCF-JTQLQIEISA-N
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