Chemical Component Summary

NameN-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
SynonymsBW2315U89UC
Identifiers(2S)-2-[[4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]phenyl]carbonylamino]pentanedioic acid
FormulaC20 H19 N5 O8 S
Molecular Weight489.459
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)Nc2ccc3c(c2)C(=O)NC(=N3)N
InChIInChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)
InChIKeyILTMHHAQXFNQFZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count55
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL1231520
PubChem 136117105, 49866734
ChEMBL CHEMBL1231520