KCP

2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID

Created: 2002-02-07
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count2
Bond Count40
Aromatic Bond Count5
2D diagram of KCP
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Chemical Component Summary

Name2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
SynonymsHYDROLYZED CEPHALOTHIN
Systematic Name (OpenEye OEToolkits)(2S)-2-[(1R)-2-hydroxy-2-oxo-1-(2-thiophen-2-ylethanoylamino)ethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
FormulaC14 H16 N2 O5 S2
Molecular Weight356.417
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)C
SMILESCACTVS3.341CC1=C(N[CH](SC1)[CH](NC(=O)Cc2sccc2)C(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC1=C(NC(SC1)C(C(=O)O)NC(=O)Cc2cccs2)C(=O)O
Canonical SMILESCACTVS3.341 CC1=C(N[C@@H](SC1)[C@H](NC(=O)Cc2sccc2)C(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O
InChIInChI1.03 InChI=1S/C14H16N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,11-12,16H,5-6H2,1H3,(H,15,17)(H,18,19)(H,20,21)/t11-,12-/m0/s1
InChIKeyInChI1.03 JRYZEMHNDUZNMI-RYUDHWBXSA-N

Drug Info: DrugBank

DrugBank IDDB02247 
NameHydrolyzed Cephalothin
Groups experimental
SynonymsHydrolyzed Cephalothin
CategoriesNephrotoxic agents

Drug Targets

NameTarget SequencePharmacological ActionActions
Beta-lactamaseMFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY...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 5288660