Enniatin B
Representations & DB's id
| ||
| ChEBI: | CHEBI:64649 | |
|---|---|---|
| ChEMBL: | CHEMBL469036 | |
| PubChem: | 164754 | |
| IUPAC: | (3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | |
| Standard InChI: | InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1 | |
| Standard InChI Key: | MIZMDSVSLSIMSC-VYLWARHZSA-N | |
| SMILES: | CC([C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C1=O)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C | |
Molecular propeties
| ||
| AlogP: | 3.15 | |
|---|---|---|
| Hydrogen bonds acceptors: | 9 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 1 | |
| Molecular Weight: | 639.41 | |
| Topological polar surface area: | 140 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.818 | |
| Number of carbons: | 33 | |