6B8

(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid

Created:2016-03-01
Last modified:  2024-09-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count5
Bond Count34
Aromatic Bond Count0
2D diagram of 6B8

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)(2~{S},3~{R},4~{R})-3-methyl-4-methylsulfanyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
FormulaC11 H17 N O4 S
Molecular Weight259.322
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(C=1C(C(C(C(C(O)C)C=O)N=1)C)SC)=O
SMILESCACTVS3.385CS[CH]1[CH](C)[CH](N=C1C(O)=O)[CH](C=O)[CH](C)O
SMILESOpenEye OEToolkits2.0.4CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC
Canonical SMILESCACTVS3.385 CS[C@@H]1[C@H](C)[C@@H](N=C1C(O)=O)[C@H](C=O)[C@@H](C)O
Canonical SMILESOpenEye OEToolkits2.0.4 C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)SC
InChIInChI1.03 InChI=1S/C11H17NO4S/c1-5-8(7(4-13)6(2)14)12-9(11(15)16)10(5)17-3/h4-8,10,14H,1-3H3,(H,15,16)/t5-,6-,7-,8-,10-/m1/s1
InChIKeyInChI1.03 ASUOZXIKIDLJND-VRRGKTLJSA-N

Related Resource References

Resource NameReference
PubChem 137348445