Microginin 478
AlkaPlorer ID: AK043788
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: CCCCCCC[C@H](NC)[C@H](O)C(O)=N[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CC1=CC=C(O)C=C1)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)C(C)C)C(C)C
InChI: InChI=1S/C41H63N5O9/c1-9-10-11-12-13-14-31(42-6)36(49)38(51)44-34(25(2)3)39(52)46(8)35(26(4)5)40(53)45(7)33(24-28-17-21-30(48)22-18-28)37(50)43-32(41(54)55)23-27-15-19-29(47)20-16-27/h15-22,25-26,31-36,42,47-49H,9-14,23-24H2,1-8H3,(H,43,50)(H,44,51)(H,54,55)/t31-,32-,33-,34-,35-,36-/m0/s1
InChIKey: ZMXDUWZRGQQFIH-NGTAMTFRSA-N
Reference
Microginins, Zinc Metalloproteases Inhibitors from the Cyanobacterium Microcystis aeruginosa
PubChem CID: 10373011
LOTUS: LTS0059612
SuperNatural Ⅲ: SN0474738-02
{NPAtlas: NPA008871
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cyanobacterium | Geminocystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 769.9810000000001
TPSA？: 215.82
MolLogP？: 4.8932000000000055
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|