Methyl 3-(5-{(E)-[8-(3-Methoxy-3-Oxopropyl)-3,9-Dimethyl-2-[(Z)-(4-Methyl-5-Oxo-3-Vinyl-1,5-Dihydro-2H-Pyrrol-2-Ylidene)Methyl]-4,5-Dihydrodipyrrolo[1,2-A:2',3'-D]Azepin-7(1H)-Ylidene]Methyl}-3-Methyl-2-Oxo-2H-Pyrrol-4-Yl)Propanoate

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Properties Simple | Detailed

Formula C35H38N4O6
IUPAC Name methyl 3-[(11e)-11-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-oxo-pyrrol-2-yl]methylene]-6,13-dimethyl-5-[(z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-4,10-diazatricyclo[8.3.0.03,7]trideca-1,3(7),5,12-tetraen-12-yl]propanoate
Molecular Mass 610.699 g·mol−1
Heat of Formation -545.0 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 739.14 Å 3
Surface Area 582.3 Å 2
HOMO Energy -7.81 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • dipyrrolo(1,2-a:2',3'-d)azepine-8-propanoic acid, 7-((1,5-dihydro-3-(3-methoxy-3-oxopropyl)-4-methyl-5-oxo-2h-pyrrol-2-ylidene)methyl)-2-((3-ethenyl-1,5-dihydro-4-methyl-5-oxo-2h-pyrrol-2-ylidene)methyl)-4,5-dihydro-3,9-dimethyl-, methyl ester, (z,z)-
  • neobiliverdin ix delta dimethyl ester
  • nixdde
CAS Number(s)
  • 117032-45-8
InChIKey CNVMXBANPYIJHF-ZISNHAQESA-N
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