(2S)-1-[(2S)-6-Amino-2-{[Hydroxy(4-Phenylbutyl)Phosphoryl]Oxy}Hexanoyl]-2-Indolinecarboxylic Acid

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Properties Simple | Detailed

Formula C25H33N2O6P
IUPAC Name (2s)-1-[(2s)-6-amino-2-[[(e)-5-ethylhept-5-enyl]-oxido-phosphoryl]oxy-hexanoyl]indoline-2-carboxylate
Molecular Mass 488.513 g·mol−1
Heat of Formation -1220.0 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 590.44 Å 3
Surface Area 503.68 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-6-amino-2-(hydroxy-(4-phenylbutyl)phosphoryl)oxy-1-oxohexyl]-2-indolinecarboxylic acid
  • (2s)-1-[(2s)-6-amino-2-(hydroxy-(4-phenylbutyl)phosphoryl)oxy-hexanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (2s)-1-[(2s)-6-amino-2-(hydroxy-(4-phenylbutyl)phosphoryl)oxy-hexanoyl]indoline-2-carboxylic acid
  • (2s)-1-[(2s)-6-amino-2-(hydroxy-(4-phenylbutyl)phosphoryl)oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (s-(r*,r*))-1-(6-amino-2-((hydroxy(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-2,3-dihydro-1h-indole-2-carboxylic acid
  • 1h-indole-2-carboxylic acid, 1-(6-amino-2-((hydroxy(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-2,3-dihydro-, (s-(r*,r*))-
  • 2,3-dahpic
  • 2,3-dihydro-1-(6-amino-2-((hydroxy-(4-phenylbutyl)phosphinyl)oxy)-1-oxohexyl)-1h-indole-2-carboxylic acid
CAS Number(s)
  • 117085-60-6
InChIKey YNBOYTXJMIRRSS-GOTSBHOMSA-N
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