27-30
AlkaPlorer ID: AK013207
Synonym: '', 'Planktopeptin BL1125'
IUPAC Name: (2S)-N-[(2R,5R,8S,11R,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(2R)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](CC2=CC=C(OC)C=C2)N(C)C(=O)[C@@H]([C@H](C)O)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](CCC2=CC=C(O)C=C2)N=C(O)[C@H](O)CO)[C@@H](C)OC1=O
InChI: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30+,35-,36-,37-,38-,39+,40+,42+,43-,44-,45+/m0/s1
InChIKey: WABVJCPIKZSXJF-CWNSZFERSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Planktothrix rubescens | Planktothrix | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1126.272
TPSA？: 416.9200000000001
MolLogP？: 3.750070000000012
Number of H-Donors: 13
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|