(2R,7Z)-7-Amino-2-[(1S,2S)-2-Hydroxy-6-(4-Hydroxyphenyl)-2,3-Dihydro-1H-Inden-1-Yl]-7-Iminoheptanoic Acid

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Properties Simple | Detailed

Formula C22H26N2O4
IUPAC Name (2r)-7-amino-2-[(1s,2s)-2-hydroxy-6-(4-hydroxyphenyl)indan-1-yl]-7-imino-heptanoic acid
Molecular Mass 382.453 g·mol−1
Heat of Formation -614.2 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 470.93 Å 3
Surface Area 410.5 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-6-(4-hydroxyphenyl)-1-indanyl]-7-iminoheptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1h-inden-1-yl]-7-imino-heptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-6-(4-hydroxyphenyl)-2,3-dihydro-1h-inden-1-yl]-7-iminoheptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-6-(4-hydroxyphenyl)indan-1-yl]-7-imino-enanthic acid
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-6-(4-hydroxyphenyl)indan-1-yl]-7-imino-heptanoic acid
InChIKey ZSRRBAKATXAISL-LMNJBCLMSA-N
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