Chemical Component Summary

NameN-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid
Identifiers(2S)-2-[[4-[(2-amino-6-methyl-4-oxo-3H-thieno[5,4-d]pyrimidin-5-yl)sulfanyl]phenyl]carbonylamino]pentanedioic acid
FormulaC19 H18 N4 O6 S2
Molecular Weight462.499
TypeL-PEPTIDE LINKING
Isomeric SMILESCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/m0/s1
InChIKeyXZCPGLYOPFIZBL-NSHDSACASA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count51
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 11248226
ChEMBL CHEMBL562369