N-{4-[(6Ar,10As)-3-Amino-1-Oxo-1,5,6,6A,7,8,10,10A-Octahydropyrimido[4,5-C][2,6]Naphthyridin-9(4H)-Yl]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C22H26N6O6
IUPAC Name (2s)-2-[[4-[(6ar,10as)-3-amino-1-oxo-4,5,6,6a,7,8,10,10a-octahydropyrimido[4,5-h][2,6]naphthyridin-9-yl]benzoyl]amino]pentanedioic acid
Molecular Mass 470.478 g·mol−1
Heat of Formation -883.1 ± 16.7 kJ·mol−1
Dipole Moment 12.51 ± 1.08 D
Volume 531.2 Å 3
Surface Area 460.98 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar-cis)-n-(4-(3-amino-1,5,6,6a,7,8,10,10a-octahydro-1-oxopyrimido(4,5-c)(2,6)naphthyridin-9(2h)-yl)benzoyl)-l-glutamic acid
  • 5,11-methylenetetrahydro-5-deazahomofolic acid
  • 5,11-mtdhf
  • l-glutamic acid, n-(4-(3-amino-1,5,6,6a,7,8,10,10a-octahydro-1-oxopyrimido(4,5-c)(2,6)naphthyridin-9(2h)-yl)benzoyl)-, (6ar-cis)-
  • n-(4-(3-amino-1,5,6,6a,7,8,10,10a-octahydro-1-oxopyrimido(4,5-c)(2,6)naphthyridin-9(2h)-yl)benzoyl)-l-glutamic acid (6ar-cis)-
CAS Number(s)
  • 130985-82-9
InChIKey MUNDNNLSVBKBJD-QEJZJMRPSA-N
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