LUD

N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid



Chemical Component Summary

NameN-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid
Identifiers(2~{S})-2-[[4-[(6~{a}~{R})-3-azanyl-1,9-bis(oxidanylidene)-5,6,6~{a},7-tetrahydro-2~{H}-imidazo[1,5-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid
FormulaC20 H21 N7 O7
Molecular Weight471.423
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N
InChIInChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
InChIKeyJSNFRYBHBVDHSG-NEPJUHHUSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count2
Bond Count58
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 6323391, 135509115, 5288682