Chemical Component Summary

Name(S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-DIONE
Identifiers2-[[3-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-2,6-dioxo-pyrimidin-1-yl]methyl]benzoic acid
FormulaC15 H15 N3 O6
Molecular Weight333.296
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O
InChIInChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
InChIKeyUUIYULWYHDSXHL-NSHDSACASA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count1
Bond Count40
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL372797
PubChem 6420161
ChEMBL CHEMBL372797