Bonnevillamide D
AlkaPlorer ID: AK328358
Synonym: None
IUPAC Name: (2S,4S)-1-[(2S)-2-[[(2S)-2-[[(2S,4S,5R)-4-acetyloxy-1-[(2S)-2-[[(2S,3R)-2-[[(Z)-3-(3,5-dichloro-4-hydroxyphenyl)-2-methoxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]-4-methylazetidine-2-carboxylic acid
Structure
SMILES: CO/C(=C\C1=CC(Cl)=C(O)C(Cl)=C1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1[C@H](C)[C@@H](OC(C)=O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(O)[C@H](C(=O)N1[C@@H](C)C[C@H]1C(=O)O)C(C)C)[C@@H](C)O
InChI: InChI=1S/C44H64Cl2N6O14/c1-19(2)12-29(48-40(58)35(24(9)53)49-39(57)34(65-11)17-26-15-27(45)37(55)28(46)16-26)41(59)51-23(8)33(66-25(10)54)18-31(51)38(56)47-30(13-20(3)4)42(60)52(64)36(21(5)6)43(61)50-22(7)14-32(50)44(62)63/h15-17,19-24,29-33,35-36,53,55,64H,12-14,18H2,1-11H3,(H,47,56)(H,48,58)(H,49,57)(H,62,63)/b34-17-/t22-,23+,24+,29-,30-,31-,32-,33-,35-,36-/m0/s1
InChIKey: LMBVXCIECVQZON-HYJPTLHKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 971.93
TPSA？: 281.75
MolLogP？: 2.851200000000008
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|