Chemical Component Summary

Name3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID
Identifiers(2Z)-6-amino-2-[(2-methanoylindolizin-3-yl)amino]-6-oxo-3-(sulfinomethyl)hexa-2,4-dienoic acid
FormulaC16 H15 N3 O6 S
Molecular Weight377.372
TypeNON-POLYMER
Isomeric SMILESc1ccn2c(c1)cc(c2N/C(=C(\CS(=O)=O)/C=CC(=O)N)/C(=O)O)C=O
InChIInChI=1S/C16H15N3O6S/c17-13(21)5-4-10(9-26(24)25)14(16(22)23)18-15-11(8-20)7-12-3-1-2-6-19(12)15/h1-8,18,26H,9H2,(H2,17,21)(H,22,23)/b5-4+,14-10-
InChIKeyARSFRLAHCNFFCE-IBXIYJDRSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count42
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB02876 
Name3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid
Groups experimental
Synonyms3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamaseMMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAV...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 5288130