Chemical Component Summary

Name2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid
Identifiers2-[4-[[5-[[(1~{R})-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethyl-indol-1-yl]methyl]phenyl]-2-methyl-propanoic acid
FormulaC33 H36 N2 O3
Molecular Weight508.651
TypeNON-POLYMER
Isomeric SMILESCc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3cccc(c3)C4CC4)Cc5ccc(cc5)C(C)(C)C(=O)O)C
InChIInChI=1S/C33H36N2O3/c1-20-22(3)35(19-23-9-14-28(15-10-23)33(4,5)32(37)38)30-16-13-27(18-29(20)30)31(36)34-21(2)25-7-6-8-26(17-25)24-11-12-24/h6-10,13-18,21,24H,11-12,19H2,1-5H3,(H,34,36)(H,37,38)/t21-/m1/s1
InChIKeyDVWSHWWLAFDNHD-OAQYLSRUSA-N

Chemical Details

Formal Charge0
Atom Count74
Chiral Atom Count1
Bond Count78
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 134693812