Ogipeptin D
AlkaPlorer ID: AK104480
Synonym: None
IUPAC Name: (Z)-N-[(3S,6S,9S,12S,15S,21S,22R)-15-(2-aminoethyl)-6-[(1R)-2-amino-1-hydroxyethyl]-3-[(1S)-2-amino-1-hydroxyethyl]-9-[3-(diaminomethylideneamino)propyl]-18-ethylidene-22-hydroxy-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]tetradec-7-enamide
Structure
SMILES: CC=C1N=C(O)[C@@H](N=C(O)CCCCC/C=C\CCCCCC)[C@H](O)CN=C(O)[C@H]([C@@H](O)CN)N=C(O)[C@H]([C@H](O)CN)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCN)N=C1O
InChI: InChI=1S/C46H84N14O11/c1-5-7-8-9-10-11-12-13-14-15-16-19-35(64)58-38-34(63)26-53-43(69)36(32(61)24-48)60-45(71)37(33(62)25-49)59-41(67)29(18-17-22-52-46(50)51)55-42(68)31(23-27(3)4)57-40(66)30(20-21-47)56-39(65)28(6-2)54-44(38)70/h6,11-12,27,29-34,36-38,61-63H,5,7-10,13-26,47-49H2,1-4H3,(H,53,69)(H,54,70)(H,55,68)(H,56,65)(H,57,66)(H,58,64)(H,59,67)(H,60,71)(H4,50,51,52)/b12-11-,28-6?/t29-,30-,31-,32-,33+,34+,36-,37-,38-/m0/s1
InChIKey: QYCXAYVXFCTOCG-LHFACJKSSA-N
Reference
Ogipeptins, novel inhibitors of LPS: physicochemical properties and structural elucidation
PubChem CID: 139589393
LOTUS: LTS0024032
{NPAtlas: NPA021542
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas sp. SANK 71903 | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1009.2649999999994
TPSA？: 461.37000000000006
MolLogP？: 2.9027700000000074
Number of H-Donors: 17
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|