Ogipeptin C
AlkaPlorer ID: AK104475
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]dodecanamide
Structure
SMILES: CC=C1N=C(O)[C@@H](N=C(O)CCCCCCCCCCC)[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/C44H82N14O11/c1-5-7-8-9-10-11-12-13-14-17-33(62)56-36-32(61)24-51-41(67)34(30(59)22-46)58-43(69)35(31(60)23-47)57-39(65)27(16-15-20-50-44(48)49)53-40(66)29(21-25(3)4)55-38(64)28(18-19-45)54-37(63)26(6-2)52-42(36)68/h6,25,27-32,34-36,59-61H,5,7-24,45-47H2,1-4H3,(H,51,67)(H,52,68)(H,53,66)(H,54,63)(H,55,64)(H,56,62)(H,57,65)(H,58,69)(H4,48,49,50)/t27-,28-,29-,30-,31+,32+,34-,35-,36-/m0/s1
InChIKey: ABTLHXNLCGOXGT-JJWZXHLFSA-N
Reference
Ogipeptins, novel inhibitors of LPS: physicochemical properties and structural elucidation
PubChem CID: 139589392
LOTUS: LTS0171218
{NPAtlas: NPA021541
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas sp. SANK 71903 | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 983.2269999999992
TPSA？: 461.37000000000006
MolLogP？: 2.3465700000000083
Number of H-Donors: 17
Number of H-Acceptors: 15
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|