Acyldepsipeptide 7
AlkaPlorer ID: AK018613
Synonym: None
IUPAC Name: (E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,13S,16S,19S)-13,16,17-trimethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]hex-2-enamide
Structure
SMILES: CCC/C=C/C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N=C(O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C35H48N6O8/c1-5-6-8-17-29(42)37-25(20-24-13-9-7-10-14-24)31(44)38-26-21-49-35(48)28-16-12-19-41(28)32(45)22(2)36-30(43)23(3)39(4)34(47)27-15-11-18-40(27)33(26)46/h7-10,13-14,17,22-23,25-28H,5-6,11-12,15-16,18-21H2,1-4H3,(H,36,43)(H,37,42)(H,38,44)/b17-8+/t22-,23-,25-,26-,27-,28-/m0/s1
InChIKey: DOYUNHASUZKGPZ-SGJSVLFISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hawaiiensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 680.803
TPSA？: 185.00000000000003
MolLogP？: 2.966300000000004
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|