Didemnin B; NLeu-Deacyl, NLeu-formyl
AlkaPlorer ID: AK295576
Synonym: Didemnin G
IUPAC Name: N-[13-butan-2-yl-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-2-[formyl(methyl)amino]-4-methylpentanamide
Structure
SMILES: CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)N(C)C=O)C(C)OC(=O)C(CC2=CC=C(OC)C=C2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)CC1O
InChI: InChI=1S/C50H78N6O13/c1-14-30(8)41-39(58)25-40(59)69-44(29(6)7)43(60)31(9)45(61)51-35(22-27(2)3)48(64)56-21-15-16-36(56)49(65)55(12)38(24-33-17-19-34(67-13)20-18-33)50(66)68-32(10)42(47(63)52-41)53-46(62)37(23-28(4)5)54(11)26-57/h17-20,26-32,35-39,41-42,44,58H,14-16,21-25H2,1-13H3,(H,51,61)(H,52,63)(H,53,62)
InChIKey: LUVOBHRWQNQKGY-UHFFFAOYSA-N
Reference
CAS: 311345-48-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tistrella mobilis | Tistrella | Geminicoccaceae | Geminicoccales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 971.2029999999996
TPSA？: 247.36
MolLogP？: 2.5745000000000133
Number of H-Donors: 4
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|