Cyanopeptolin 972
AlkaPlorer ID: AK005592
Synonym: None
IUPAC Name: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-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]amino]-3-(hexanoylamino)-4-oxobutanoic acid
Structure
SMILES: CCCCCC(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(O)=N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChI: InChI=1S/C46H72N10O13/c1-8-9-10-13-34(58)50-31(23-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(22-27-14-16-28(57)17-15-27)55(7)44(67)33(21-24(2)3)56-35(59)19-18-30(43(56)66)52-39(62)29(51-42(38)65)12-11-20-49-46(47)48/h14-17,24-26,29-33,35,37-38,57,59H,8-13,18-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)/t26-,29+,30+,31+,32+,33+,35-,37+,38+/m1/s1
InChIKey: NKYQWHNOQNOLGP-ONNRHKKVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis sp. | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 973.139
TPSA？: 369.5300000000001
MolLogP？: 3.662270000000012
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|