2-[[3-(2-amino-2-carboxyethyl)-2,6-dioxo-1-pyrimidinyl]methyl]benzoic acid (Q27163534)

CHEMBL372631 (English)

9 October 2016

chemical formula

C₁₅H₁₅N₃O₆

1 reference

CHEMBL372631 (English)

9 October 2016

canonical SMILES

C1=CC=C(C(=C1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O

1 reference

CHEMBL372631 (English)

InChI=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)

9 October 2016

Identifiers

InChI

1 reference

CHEMBL372631 (English)

UUIYULWYHDSXHL-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

CHEMBL372631 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-{[3-(2-Amino-2-carboxyethyl)-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]methyl}benzoic acid (English)

9 October 2016

2 references

CHEMBL372631 (English)

matched by identifier from

9 October 2016

InChIKey

UUIYULWYHDSXHL-UHFFFAOYSA-N

ChEBI ID

91719

mapping relation type

2 references

2-[[3-(2-amino-2-carboxyethyl)-2,6-dioxo-1-pyrimidinyl]methyl]benzoic acid (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=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)

1 reference