S2C

S-2-(BORONOETHYL)-L-CYSTEINE

Created: 2000-12-18
Last modified:  2011-06-04

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Chemical Details

Formal Charge-1
Atom Count26
Chiral Atom Count1
Bond Count25
Aromatic Bond Count0
2D diagram of S2C
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Chemical Component Summary

NameS-2-(BORONOETHYL)-L-CYSTEINE
Systematic Name (OpenEye OEToolkits)2-[(2R)-2-azanyl-3-hydroxy-3-oxo-propyl]sulfanylethyl-trihydroxy-boranuide
FormulaC5 H13 B N O5 S
Molecular Weight210.036
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C(N)CSCC[B-](O)(O)O
SMILESCACTVS3.370N[CH](CSCC[B-](O)(O)O)C(O)=O
SMILESOpenEye OEToolkits1.7.0[B-](CCSCC(C(=O)O)N)(O)(O)O
Canonical SMILESCACTVS3.370 N[C@@H](CSCC[B-](O)(O)O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 [B-](CCSC[C@@H](C(=O)O)N)(O)(O)O
InChIInChI1.03 InChI=1S/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10,11)12/h4,10-12H,1-3,7H2,(H,8,9)/q-1/t4-/m0/s1
InChIKeyInChI1.03 XLVRIIJULVQAMP-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank IDDB03731 
NameS-2-(Boronoethyl)-L-Cysteine
Groups experimental
SynonymsS-2-(Boronoethyl)-L-Cysteine

Drug Targets

NameTarget SequencePharmacological ActionActions
Arginase-1MSAKSRTIGIIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKEQECDVKDY...unknown
Arginase-2, mitochondrialMSLRGSLSRLLQTRVHSILKKSVHSVAVIGAPFSQGQKRKGVEHGPAAIR...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 446122