CAS

S-(DIMETHYLARSENIC)CYSTEINE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count1
Bond Count21
Aromatic Bond Count0
2D diagram of CAS
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Chemical Component Summary

NameS-(DIMETHYLARSENIC)CYSTEINE
Systematic Name (OpenEye OEToolkits)(2R)-2-amino-3-dimethylarsanylsulfanyl-propanoic acid
FormulaC5 H12 As N O2 S
Molecular Weight225.141
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CS[As](C)C
SMILESCACTVS3.341C[As](C)SC[CH](N)C(O)=O
SMILESOpenEye OEToolkits1.5.0C[As](C)SCC(C(=O)O)N
Canonical SMILESCACTVS3.341 C[As](C)SC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[As](C)SC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C5H12AsNO2S/c1-6(2)10-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyInChI1.03 UKLXSOVDMSQHMM-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank IDDB03963 
NameS-(Dimethylarsenic)Cysteine
Groups experimental
SynonymsS-(Dimethylarsenic)Cysteine

Drug Targets

NameTarget SequencePharmacological ActionActions
Toll-like receptor 2MPHTLWMVWVLGVIISLSKEESSNQASLSCDRNGICKGSSGSLNSIPSGL...unknown
Capsid scaffolding proteinMTMDEQQSQAVAPVYVGGFLARYDQSPDEAELLLPRDVVEHWLHAQGQGQ...unknown
Gag-Pol polyproteinMGARASVLSGGELDKWEKIRLRPGGKKQYKLKHIVWASRELERFAVNPGL...unknown
Nitric oxide synthase, endothelialMGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...unknown
Coatomer subunit gamma-1MLKKFDKKDEESGGGSNPFQHLEKSAVLQEARVFNETPINPRKCAHILTK...unknown
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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 17753880