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

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Properties Simple | Detailed

Formula C27H35N3O4
IUPAC Name (2r)-7-amino-2-[(1s,2s)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-indan-1-yl]-7-imino-heptanoic acid
Molecular Mass 465.585 g·mol−1
Heat of Formation -672.1 ± 16.7 kJ·mol−1
Dipole Moment 9.05 ± 1.08 D
Volume 583.22 Å 3
Surface Area 498.66 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-7-amino-2-[(1s,2s)-5-[3-(diethylamino-oxomethyl)phenyl]-2-hydroxy-1-indanyl]-7-iminoheptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-7-imino-heptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-7-iminoheptanoic acid
  • (2r)-7-amino-2-[(1s,2s)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-indan-1-yl]-7-imino-enanthic acid
  • (2r)-7-amino-2-[(1s,2s)-5-[3-(diethylcarbamoyl)phenyl]-2-hydroxy-indan-1-yl]-7-imino-heptanoic acid
InChIKey VACZRUKFUJTPNR-GIFXNVAJSA-N
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