Micropeptin HA983
AlkaPlorer ID: AK000431
Synonym: None
IUPAC Name: (2S)-2-acetamido-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-8-[(2S)-butan-2-yl]-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]pentanediamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C(Cl)=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)N2C(=O)[C@H](CC[C@H]2O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H](N=C(O)[C@H](CCC(=N)O)N=C(C)O)[C@@H](C)OC1=O
InChI: InChI=1S/C46H62ClN9O13/c1-6-23(2)38-46(68)69-24(3)39(54-41(63)29(50-25(4)57)13-17-35(48)59)43(65)51-30(14-18-36(49)60)40(62)52-31-15-19-37(61)56(44(31)66)33(21-26-10-8-7-9-11-26)45(67)55(5)32(42(64)53-38)22-27-12-16-34(58)28(47)20-27/h7-12,16,20,23-24,29-33,37-39,58,61H,6,13-15,17-19,21-22H2,1-5H3,(H2,48,59)(H2,49,60)(H,50,57)(H,51,65)(H,52,62)(H,53,64)(H,54,63)/t23-,24+,29-,30-,31-,32-,33-,37+,38-,39-/m0/s1
InChIKey: CTRNIFCHKNRZTD-JTVKUUGFSA-N
Reference
Protease inhibitors from three fishpond water blooms of Microcystis spp.
PubChem CID: 53359190
LOTUS: LTS0155733
{NPAtlas: NPA001517
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis sp. | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 984.505
TPSA？: 358.49
MolLogP？: 5.234940000000004
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|