Chemical Component Summary

Name5-DEAZAFOLIC ACID
Identifiers(2S)-2-[[4-[(2-amino-4-oxo-1H-pyrido[5,6-e]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
FormulaC20 H20 N6 O6
Molecular Weight440.409
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N
InChIInChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-10(9-23-16)8-22-12-3-1-11(2-4-12)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)/t14-/m0/s1
InChIKeyNFARHPAOOHOWAL-AWEZNQCLSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count54
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 135460994, 445175