1. Primary Information
| English name: | Beauvericin G2 |
| CAS No.: | - |
| Molecular formula: | C43H53N3O9 |
| Molecular weight: | 755.9 g/mol |
| SMILES: | CC[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)CC)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C |
| Structural class: | |
| Other identifiers: |
- |
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)-3,9,15-tribenzyl-6,12-diethyl-4,10,16-trimethyl-18-propan-2-yl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
4.2 InChI
InChI=1S/C43H53N3O9/c1-8-35-38(47)44(5)32(25-29-19-13-10-14-20-29)41(50)53-36(9-2)39(48)45(6)34(27-31-23-17-12-18-24-31)43(52)55-37(28(3)4)40(49)46(7)33(42(51)54-35)26-30-21-15-11-16-22-30/h10-24,28,32-37H,8-9,25-27H2,1-7H3/t32-,33-,34-,35+,36+,37+/m0/s1
4.3 InChIKey
PZXVLKNLYUVXNP-ICSVSLQJSA-N
4.4 Canonical SMILES
CC[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)CC)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C
4.5 Isomeric SMILES
-
