1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium
Go to external page
http://purl.obolibrary.org/obo/CHEBI_143328
Term info
Label
1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium
Subsets
2_STAR
charge
+1
formula
C23H28N5O6
has obo namespace
chebi_ontology
id
CHEBI:143328
inchi
InChI=1S/C23H27N5O6/c1-22(2,9-24)14-5-13(6-15(7-14)23(3,4)10-25)8-28-12-27(11-26-28)20-18(31)16(29)17(30)19(34-20)21(32)33/h5-7,11-12,16-20,29-31H,8H2,1-4H3/p+1/t16-,17-,18+,19-,20?/m0/s1
inchikey
ZVXRGZPUPOVAKU-ZZTJXEITSA-O
mass
470.499
monoisotopicmass
470.204
smiles
O=C(O)[C@H]1OC([N+]=2C=NN(C2)CC3=CC(=CC(=C3)C(C#N)(C)C)C(C#N)(C)C)[C@H](O)[C@H]([C@@H]1O)O