(9S,12S,15S)-9-Amino-12-(2-Amino-2-Oxoethyl)-4-Methoxy-10,13-Dioxo-2-Oxa-11,14-Diazatricyclo[15.2.2.1~3,7~]Docosa-1(19),3(22),4,6,17,20-Hexaene-15-Carboxylic Acid

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Formula C23H26N4O7
IUPAC Name (9s,12s,15s)-9-amino-12-(2-amino-2-oxoethyl)-4-methoxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.1 3,7 ]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxylic acid
Molecular Mass 470.475 g·mol−1
Heat of Formation -1066.6 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 551.17 Å 3
Surface Area 418.87 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-oxa-11,14-diazatricyclo(15.2.2.1(3,7))docosa-3,5,7(22),17,19,20-hexaene-15-carboxylic acid, 9-amino-12-(2-amino-2-oxoethyl)-4-methoxy-10,13-dioxo-, (9s-(9r*,12r*,15r*))-
  • of 4949-iii
  • of-4949iii
CAS Number(s)
  • 107140-32-9
InChIKey GDRXSYCFWCIGRB-ULQDDVLXSA-N
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