Y72

N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid



Chemical Component Summary

NameN-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid
Identifiers(2~{S})-2-[[4-[4-(2-azanyl-4-oxidanylidene-3~{H}-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluoranyl-thiophen-2-yl]carbonylamino]pentanedioic acid
FormulaC20 H22 F N5 O6 S
Molecular Weight479.482
TypeNON-POLYMER
Isomeric SMILESc1cn(c2c1N=C(NC2=O)N)CCCCc3csc(c3F)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C20H22FN5O6S/c21-14-10(9-33-16(14)18(30)23-12(19(31)32)4-5-13(27)28)3-1-2-7-26-8-6-11-15(26)17(29)25-20(22)24-11/h6,8-9,12H,1-5,7H2,(H,23,30)(H,27,28)(H,31,32)(H3,22,24,25,29)/t12-/m0/s1
InChIKeyHPZHEVFOCGGDJM-LBPRGKRZSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count1
Bond Count57
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 168477227