MD3

N-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine

Created:2011-08-11
Last modified:  2011-08-11

Find related ligands:

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count1
Bond Count39
Aromatic Bond Count11
2D diagram of MD3

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.

Chemical Component Summary

NameN-(carboxycarbonyl)-S-(naphthalen-2-ylmethyl)-L-cysteine
Systematic Name (OpenEye OEToolkits)(2R)-2-(carboxycarbonylamino)-3-(naphthalen-2-ylmethylsulfanyl)propanoic acid
FormulaC16 H15 N O5 S
Molecular Weight333.359
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(=O)NC(C(=O)O)CSCc2ccc1c(cccc1)c2
SMILESCACTVS3.370OC(=O)[CH](CSCc1ccc2ccccc2c1)NC(=O)C(O)=O
SMILESOpenEye OEToolkits1.7.2c1ccc2cc(ccc2c1)CSCC(C(=O)O)NC(=O)C(=O)O
Canonical SMILESCACTVS3.370 OC(=O)[C@H](CSCc1ccc2ccccc2c1)NC(=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.2 c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)NC(=O)C(=O)O
InChIInChI1.03 InChI=1S/C16H15NO5S/c18-14(16(21)22)17-13(15(19)20)9-23-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9H2,(H,17,18)(H,19,20)(H,21,22)/t13-/m0/s1
InChIKeyInChI1.03 TUTBXYUXRIILSH-ZDUSSCGKSA-N

Related Resource References

Resource NameReference
PubChem 56684141
ChEMBL CHEMBL2030872