(Q82991970)

English

N-[4-(1-Hydroxy-3-imino-3,5,6,6a,7,8-hexahydro-4H-pyrimido[1,6-f]pteridin-9(10H)-yl)benzoyl]glutamic acid--formic acid (1/1)

group of stereoisomers with the chemical formula C₂₂H₂₇N₇O₈

In more languages

edit

Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

0 references

mass

517.1921108239999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₇N₇O₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

N=c1nc(O)c2c([nH]1)NCC1CCN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CN21.O=CO

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

N=c1nc(O)c2c([nH]1)NCC1CCN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21.O=CO

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C21H25N7O6.CH2O2/c22-21-25-17-16(19(32)26-21)28-10-27(8-7-13(28)9-23-17)12-3-1-11(2-4-12)18(31)24-14(20(33)34)5-6-15(29)30;2-1-3/h1-4,13-14H,5-10H2,(H,24,31)(H,29,30)(H,33,34)(H4,22,23,25,26,32);1H,(H,2,3)/t13?,14-;/m0./s1

0 references

InChIKey

KGYYNOVPYCBONW-IJDFPQMLSA-N

0 references

0 references

1 reference

26 December 2021

1 reference

0 references

DSSTOX compound identifier

DTXCID501426096

0 references

(Q82991970)

N-[4-(1-Hydroxy-3-imino-3,5,6,6a,7,8-hexahydro-4H-pyrimido[1,6-f]pteridin-9(10H)-yl)benzoyl]glutamic acid--formic acid (1/1)

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)