Synonyms |
balanol; 63590-19-2; Azepinostatin; CHEMBL60254; Balanol, 1; 2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid; BA1; (-)-Balanol; (3R-trans)-Balanol; AC1NRA6W; SCHEMBL62128; MEGxm0_000504; GTPL8142; BDBM3149; Acyclic Balanol Analog (-)-1; BDBM36607; ACon0_001438; ZINC3871640; MCULE-9310625171; 167937-47-5; FT-0662471; 33879-EP2275420A1; 33879-EP2295416A2; 33879-EP2295055A2; 33879-EP2311453A1; 33879-EP2305642A2; 33879-EP2298764A1; 33879-EP2298765A1; 33879-EP2298748A2
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Chemical Identifiers |
- Formula
- C28H26N2O10
- IUPAC Name
2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
- Canonical SMILES
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C1C[C@H]([C@@H](CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O
- InChI
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InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
- InChIKey
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XYUFCXJZFZPEJD-XMSQKQJNSA-N
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