Aeruginopeptin 917S-C
AlkaPlorer ID: AK039317
Synonym: 'Aeruginopeptin 917S-C'
IUPAC Name: (2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CC(C)C)N2C(=O)[C@H](CC[C@H]2O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](O)CC2=CC=C(O)C=C2)[C@@H](C)OC1=O
InChI: InChI=1S/C51H74N8O14/c1-9-28(6)42-51(72)73-29(7)43(57-44(65)34(18-20-40(52)63)53-47(68)39(62)25-31-12-16-33(61)17-13-31)48(69)55-36(22-26(2)3)45(66)54-35-19-21-41(64)59(49(35)70)38(23-27(4)5)50(71)58(8)37(46(67)56-42)24-30-10-14-32(60)15-11-30/h10-17,26-29,34-39,41-43,60-62,64H,9,18-25H2,1-8H3,(H2,52,63)(H,53,68)(H,54,66)(H,55,69)(H,56,67)(H,57,65)/t28-,29+,34-,35-,36-,37-,38-,39+,41+,42-,43-/m0/s1
InChIKey: ZRKGXBXTXWRIOY-UZWCTBGLSA-N
Reference
Co‐production of microcystins and aeruginopeptins by natural cyanobacterial bloom
PubChem CID: 23724565
LOTUS: LTS0086161
SuperNatural Ⅲ: SN0478282-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Chroococcaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1023.195
TPSA？: 354.87
MolLogP？: 5.404870000000009
Number of H-Donors: 11
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|