M5P

(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID

Created: 2007-05-11
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count1
Bond Count31
Aromatic Bond Count6
2D diagram of M5P
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Chemical Component Summary

Name(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID
Systematic Name (OpenEye OEToolkits)(2S)-5-phenyl-2-(sulfanylmethyl)pentanoic acid
FormulaC12 H16 O2 S
Molecular Weight224.319
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(CCCc1ccccc1)CS
SMILESCACTVS3.341OC(=O)[CH](CS)CCCc1ccccc1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CCCC(CS)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)[C@@H](CS)CCCc1ccccc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)CCC[C@H](CS)C(=O)O
InChIInChI1.03 InChI=1S/C12H16O2S/c13-12(14)11(9-15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,13,14)/t11-/m1/s1
InChIKeyInChI1.03 HEPZYEZEUMVYDV-LLVKDONJSA-N

Drug Info: DrugBank

DrugBank IDDB08161 
Name(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID
Groups experimental
Synonyms(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Class B carbapenemase VIM-2MFKLLSKLLVYLTASIMAIASPLAFSVDSSGEYPTVSEIPVGEVRLYQIA...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 24748045