65P

(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid



Chemical Component Summary

Name(2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid
Identifiers(2~{S})-2-[1-[[3,4-bis(fluoranyl)phenyl]methyl]-6-methyl-4-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
FormulaC31 H32 F2 N2 O4
Molecular Weight534.594
TypeNON-POLYMER
Isomeric SMILESCc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F
InChIInChI=1S/C31H32F2N2O4/c1-17-20-7-6-14-38-25(20)11-9-21(17)27-22-12-13-35(16-19-8-10-23(32)24(33)15-19)29(22)34-18(2)26(27)28(30(36)37)39-31(3,4)5/h8-13,15,28H,6-7,14,16H2,1-5H3,(H,36,37)/t28-/m0/s1
InChIKeyFCHYUVWFDGOTFV-NDEPHWFRSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count1
Bond Count75
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 71209363