L4X

Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide

Created:2022-02-28
Last modified:  2022-10-05

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count74
Chiral Atom Count2
Bond Count76
Aromatic Bond Count18
2D diagram of L4X

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

NameNalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide
Systematic Name (OpenEye OEToolkits)(~{E},2~{R})-~{N}-[(2~{S})-1-(methylamino)-3-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]-5-phenyl-2-[2-[(phenylmethyl)amino]ethanoylamino]pent-4-enamide
FormulaC31 H36 N4 O3
Molecular Weight512.643
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CNC(=O)C(Cc1ccc(C)cc1)NC(=O)C(C/C=C/c1ccccc1)NC(=O)CNCc1ccccc1
SMILESCACTVS3.385CNC(=O)[CH](Cc1ccc(C)cc1)NC(=O)[CH](CC=Cc2ccccc2)NC(=O)CNCc3ccccc3
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1)CC(C(=O)NC)NC(=O)C(CC=Cc2ccccc2)NC(=O)CNCc3ccccc3
Canonical SMILESCACTVS3.385 CNC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)[C@@H](C/C=C/c2ccccc2)NC(=O)CNCc3ccccc3
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(cc1)C[C@@H](C(=O)NC)NC(=O)[C@@H](C/C=C/c2ccccc2)NC(=O)CNCc3ccccc3
InChIInChI1.03 InChI=1S/C31H36N4O3/c1-23-16-18-25(19-17-23)20-28(30(37)32-2)35-31(38)27(15-9-14-24-10-5-3-6-11-24)34-29(36)22-33-21-26-12-7-4-8-13-26/h3-14,16-19,27-28,33H,15,20-22H2,1-2H3,(H,32,37)(H,34,36)(H,35,38)/b14-9+/t27-,28+/m1/s1
InChIKeyInChI1.03 RVVSAVHSOSLVLN-CFHHOXAGSA-N

Related Resource References

Resource NameReference
PubChem 165180703