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CHEBI:42721 - 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BENZOIC ACID

Default Structure
ChEBI IDCHEBI:42721
ChEBI Name2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BENZOIC ACID
Stars
DownloadsMolfile
FormulaC30H35F2N5O5
Net Charge0
Average Mass583.636
Monoisotopic Mass583.26063
SMILES[H]/N=C(\c1c([H])c([H])c([H])c(Oc2nc(Oc3c([H])c([H])c(C(=O)N([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c3C(=O)O[H])c(F)c(N(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])c2F)c1[H])N([H])[H]
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
ChEBI Ontology
Outgoing Relation(s)
2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BENZOIC ACID (CHEBI:42721) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-({4-[bis(1-methylethyl)amino]-6-(3-carbamimidoylphenoxy)-3,5-difluoropyridin-2-yl}oxy)-5-[(2-methylpropyl)carbamoyl]benzoic acidPDBeChem
2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BENZOIC ACIDPDBeChem
Manual XrefsDatabases
GILPDBeChem