U5L

(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

Created: 2023-01-26
Last modified:  2023-06-07

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count1
Bond Count65
Aromatic Bond Count12
2D diagram of U5L
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
FormulaC26 H32 O4
Molecular Weight408.53
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[CH](OC(C)(C)C)C(O)=O
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1C(C(=O)O)OC(C)(C)C)c2ccc3c(c2C)CCCO3)C4CC4
Canonical SMILESCACTVS3.385 Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3C)c1[C@H](OC(C)(C)C)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(c(c1[C@@H](C(=O)O)OC(C)(C)C)c2ccc3c(c2C)CCCO3)C4CC4
InChIInChI1.06 InChI=1S/C26H32O4/c1-15-8-11-20(17-9-10-17)23(22(15)24(25(27)28)30-26(3,4)5)19-12-13-21-18(16(19)2)7-6-14-29-21/h8,11-13,17,24H,6-7,9-10,14H2,1-5H3,(H,27,28)/t24-/m0/s1
InChIKeyInChI1.06 QBUZBJOJZXBBCS-DEOSSOPVSA-N

Related Resource References

Resource NameReference
PubChem 86566720