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CHEBI:40903 - 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE

Default Structure
ChEBI IDCHEBI:40903
ChEBI Name3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC32H36N2O7
Net Charge0
Average Mass560.647
Monoisotopic Mass560.25225
SMILES[H]Oc1c([H])c([H])c(OC([H])([H])[H])c([H])c1C(=O)c1c([H])c([H])c(C(=O)O[C@]2([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[C@@]2([H])N([H])C(=O)c2c([H])c([H])c(O[H])c([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])c2[H])c([H])c1[H]
InChIInChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)/t19-,26+,29+/m0/s1
InChIKeyXVLMXAUKCDSMMW-YXLARRHKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE (CHEBI:40903) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATEPDBeChem
(3R,4R)-3-[({4-hydroxy-3-[(1S)-1-methylpropyl]phenyl}carbonyl)amino]azepan-4-yl 4-[(2-hydroxy-5-methoxyphenyl)carbonyl]benzoatePDBeChem
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