(2R,7Z)-7-Amino-2-[(1S,2S)-2-Hydroxy-5-(3-Methoxyphenyl)-2,3-Dihydro-1H-Inden-1-Yl]-7-Iminoheptanoic Acid

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Properties Simple | Detailed

Formula C23H28N2O4
IUPAC Name (2r)-7-amino-2-[(1s,2s)-2-hydroxy-5-(3-methoxyphenyl)indan-1-yl]-7-imino-heptanoic acid
Molecular Mass 396.479 g·mol−1
Heat of Formation -593.7 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 490.04 Å 3
Surface Area 433.58 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-5-(3-methoxyphenyl)-1-indanyl]-7-iminoheptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-5-(3-methoxyphenyl)-2,3-dihydro-1h-inden-1-yl]-7-imino-heptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-5-(3-methoxyphenyl)-2,3-dihydro-1h-inden-1-yl]-7-iminoheptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-5-(3-methoxyphenyl)indan-1-yl]-7-imino-enanthic acid
  • (2r)-7-amino-2-[(1s,2s)-2-hydroxy-5-(3-methoxyphenyl)indan-1-yl]-7-imino-heptanoic acid
InChIKey NMOUMGFCBOWPAB-RZUBCFFCSA-N
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