(2E,4E,6E,8E,10E)-N-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-N'-[(1S)-2-phenyl-1-{[(3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetraazatricyclo[17.3.0.0⁷,¹¹]docosan-3-yl]carbamoyl}ethyl]dodeca-2,4,6,8,10-pentaenediamid
AlkaPlorer ID: AK475751
Synonym: None
IUPAC Name: (2E,4E,6E,8E,10E)-N-(2-hydroxy-5-oxocyclopenten-1-yl)-N'-[(2S)-1-oxo-3-phenyl-1-[[(7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-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]dodeca-2,4,6,8,10-pentaenediamide
Structure
SMILES: C[C@@H]1C[C@H]2C(=O)OCC(N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)/C=C/C=C/C=C/C=C/C=C/C(O)=NC3=C(O)CCC3=O)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(O)=N[C@@H](C)C(=O)N2C1
InChI: InChI=1S/C47H57N7O11/c1-29-25-36-47(64)65-28-34(45(62)53-24-16-19-35(53)46(63)52(4)31(3)42(59)48-30(2)44(61)54(36)27-29)50-43(60)33(26-32-17-12-11-13-18-32)49-39(57)20-14-9-7-5-6-8-10-15-21-40(58)51-41-37(55)22-23-38(41)56/h5-15,17-18,20-21,29-31,33-36,55H,16,19,22-28H2,1-4H3,(H,48,59)(H,49,57)(H,50,60)(H,51,58)/b6-5+,9-7+,10-8+,20-14+,21-15+/t29-,30+,31+,33+,34?,35+,36+/m1/s1
InChIKey: ODKIYTBYJKALOK-BAPNPLDOSA-N
Reference
The structure of enopeptins A and B, novel depsipeptide antibiotics
PubChem CID: 133562672
LOTUS: LTS0042445
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 896.0109999999995
TPSA？: 254.89
MolLogP？: 4.726000000000006
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|