PVK

(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione

Created:	2020-04-28
Last modified:	2020-06-05

Find Related PDB Entry
1 entries where PVK is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	0

2D diagram of PVK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione
Synonyms	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrofuro[3,4-d]pyrimidin-1-yl]propanoic acid
Formula	C₉ H₁₁ N₃ O₅
Molecular Weight	241.201
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1C2=C(CO1)N(C(=O)NC2=O)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
InChIKey	InChI	1.03	IFUIGRBRINDTIJ-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	137650243
ChEMBL	CHEMBL4077177

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.