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CHEBI:44647 - 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID

Default Structure
ChEBI IDCHEBI:44647
ChEBI Name2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC28H31N5O6
Net Charge0
Average Mass533.585
Monoisotopic Mass533.22743
SMILES[H]OC(=O)c1c([H])c(C(=O)N([H])[C@]([H])(C([H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c([H])c([H])c1-c1c(C(=O)N([H])c2c([H])c([H])c(C([H])(N([H])[H])N([H])[H])c([H])c2[H])nc(OC([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-14,21,24H,29-30H2,1-4H3,(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1
InChIKeyXTFRBCPDFSHPBF-OAQYLSRUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID (CHEBI:44647) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACIDPDBeChem
2-(2-{[4-(diaminomethyl)phenyl]carbamoyl}-6-methoxypyridin-3-yl)-5-{[(1S)-1-formyl-2,2-dimethylpropyl]carbamoyl}benzoic acidPDBeChem
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