Micropeptin KR1030; N1-Deacyl, N1-butanoyl
AlkaPlorer ID: AK306611
Synonym: Micropeptin KR1002
IUPAC Name: N-[2-benzyl-21-hydroxy-15-[(4-hydroxycyclohex-2-en-1-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-(butanoylamino)pentanediamide
Structure
SMILES: CCCC(=O)NC(CCC(N)=O)C(=O)NC1C(=O)NC(CC2C=CC(O)CC2)C(=O)NC2CCC(O)N(C2=O)C(CC2=CC=CC=C2)C(=O)N(C)C(CC2=CC=C(O)C=C2)C(=O)NC(C(C)C)C(=O)OC1C
InChI: InChI=1S/C51H70N8O13/c1-6-10-41(63)53-35(21-23-40(52)62)45(65)57-44-29(4)72-51(71)43(28(2)3)56-47(67)38(26-32-15-19-34(61)20-16-32)58(5)50(70)39(27-30-11-8-7-9-12-30)59-42(64)24-22-36(49(59)69)54-46(66)37(55-48(44)68)25-31-13-17-33(60)18-14-31/h7-9,11-13,15-17,19-20,28-29,31,33,35-39,42-44,60-61,64H,6,10,14,18,21-27H2,1-5H3,(H2,52,62)(H,53,63)(H,54,66)(H,55,68)(H,56,67)(H,57,65)
InChIKey: UDOWEWNWQMROSG-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis sp. | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1003.164
TPSA？: 316.19999999999993
MolLogP？: 0.1219000000000161
Number of H-Donors: 9
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|