Ogipeptin A
AlkaPlorer ID: AK104463
Synonym: None
IUPAC Name: 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]decanamide
Structure
SMILES: CC=C1N=C(O)[C@@H](N=C(O)CCCCCCCCC)[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/C42H78N14O11/c1-5-7-8-9-10-11-12-15-31(60)54-34-30(59)22-49-39(65)32(28(57)20-44)56-41(67)33(29(58)21-45)55-37(63)25(14-13-18-48-42(46)47)51-38(64)27(19-23(3)4)53-36(62)26(16-17-43)52-35(61)24(6-2)50-40(34)66/h6,23,25-30,32-34,57-59H,5,7-22,43-45H2,1-4H3,(H,49,65)(H,50,66)(H,51,64)(H,52,61)(H,53,62)(H,54,60)(H,55,63)(H,56,67)(H4,46,47,48)/t25-,26-,27-,28-,29+,30+,32-,33-,34-/m0/s1
InChIKey: VMDXXLVULZDQNB-ZBQMFOSJSA-N
Reference
Ogipeptins, novel inhibitors of LPS: physicochemical properties and structural elucidation
PubChem CID: 139589390
LOTUS: LTS0260763
{NPAtlas: NPA021539
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas sp. SANK 71903 | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 955.1729999999992
TPSA？: 461.37000000000006
MolLogP？: 1.5663700000000085
Number of H-Donors: 17
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|