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CHEBI:41013 - 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE

Default Structure
ChEBI IDCHEBI:41013
ChEBI Name3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H26N2O6
Net Charge0
Average Mass474.513
Monoisotopic Mass474.17909
SMILES[H]Oc1c([H])c([H])c(C(=O)N([H])[C@]2([H])C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])OC(=O)c2c([H])c([H])c(C(=O)c3c([H])c([H])c([H])c([H])c3O[H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1
InChIKeySQLYTJZXRRDERK-ISKFKSNPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE (CHEBI:41013) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATEPDBeChem
(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-[(2-hydroxyphenyl)carbonyl]benzoatePDBeChem
Manual XrefsDatabases
BD2PDBeChem