1. Primary Information
| English name: | Beauvericin E |
| CAS No.: | - |
| Molecular formula: | C41H57N3O9 |
| Molecular weight: | 735.9 g/mol |
| SMILES: | CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1)C(C)C)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C |
| Structural class: | |
| Other identifiers: |
beauvericin E |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,9-dibenzyl-4,10-dimethyl-15-(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
4.2 InChI
InChI=1S/C41H57N3O9/c1-24(2)21-30-39(48)52-34(26(5)6)37(46)44(10)32(23-29-19-15-12-16-20-29)41(50)53-35(27(7)8)38(47)43(9)31(22-28-17-13-11-14-18-28)40(49)51-33(25(3)4)36(45)42-30/h11-20,24-27,30-35H,21-23H2,1-10H3,(H,42,45)/t30-,31-,32-,33+,34+,35+/m0/s1
4.3 InChIKey
NNSMCJXCEMTDJF-DULUVLRMSA-N
4.4 Canonical SMILES
CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1)C(C)C)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C
4.5 Isomeric SMILES
-
