CPW

(S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID

Created: 2004-04-23
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count1
Bond Count31
Aromatic Bond Count6
2D diagram of CPW
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Chemical Component Summary

Name(S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-(2,4-dioxo-6,7-dihydro-5H-cyclopenta[e]pyrimidin-1-yl)propanoic acid
FormulaC10 H13 N3 O4
Molecular Weight239.228
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CN1C2=C(C(=O)NC1=O)CCC2
SMILESCACTVS3.341N[CH](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O
SMILESOpenEye OEToolkits1.5.0C1CC2=C(C1)N(C(=O)NC2=O)CC(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CN1C(=O)NC(=O)C2=C1CCC2)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/m0/s1
InChIKeyInChI1.03 VSGUEKZRMJVQOH-LURJTMIESA-N

Drug Info: DrugBank

DrugBank IDDB03240 
Name(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid
Groups experimental
Synonyms(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Glutamate receptor 2MQKIMHISVLLSPVLWGLIFGVSSNSIQIGGLFPRGADQEYSAFRVGMVQ...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 657004
ChEMBL CHEMBL337577