Chemical Component Summary

Name2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID
SynonymsPD0297121
Identifiers2-[6-(3-carbamimidoylphenoxy)-4-(di(propan-2-yl)amino)-3,5-difluoro-pyridin-2-yl]oxy-5-(2-methylpropylcarbamoyl)benzoic acid
FormulaC30 H35 F2 N5 O5
Molecular Weight583.626
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)/N
InChIInChI=1S/C30H35F2N5O5/c1-15(2)14-35-27(38)19-10-11-22(21(13-19)30(39)40)42-29-24(32)25(37(16(3)4)17(5)6)23(31)28(36-29)41-20-9-7-8-18(12-20)26(33)34/h7-13,15-17H,14H2,1-6H3,(H3,33,34)(H,35,38)(H,39,40)
InChIKeyJLWMMYZWEHHTFF-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count0
Bond Count79
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 11957383
ChEMBL CHEMBL1182001