Mixirin B
AlkaPlorer ID: AK013587
Synonym: None
IUPAC Name: 3-[(3S,6S,9S,12S,15R,18S,25R)-3,12,18-tris(2-amino-2-oxoethyl)-6-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-22-octyl-2,5,8,11,14,17,20,24-octaoxo-1,4,7,10,13,16,19,23-octazabicyclo[23.3.0]octacosan-9-yl]propanamide
Structure
SMILES: CCCCCCCCC1CC(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](CC2=CC=C(O)C=C2)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(=O)N2CCC[C@@H]2C(O)=N1
InChI: InChI=1S/C45H68N12O14/c1-2-3-4-5-6-7-9-25-19-38(64)51-29(20-35(47)61)41(67)53-28(18-24-11-13-26(59)14-12-24)40(66)54-30(21-36(48)62)42(68)52-27(15-16-34(46)60)39(65)56-32(23-58)43(69)55-31(22-37(49)63)45(71)57-17-8-10-33(57)44(70)50-25/h11-14,25,27-33,58-59H,2-10,15-23H2,1H3,(H2,46,60)(H2,47,61)(H2,48,62)(H2,49,63)(H,50,70)(H,51,64)(H,52,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)/t25?,27-,28+,29-,30-,31-,32-,33+/m0/s1
InChIKey: KPNOFTRLFQRDDJ-SPEXPSQKSA-N
Reference
Three New Cytotoxic Cyclic Acylpeptides from Marine Bacillus sp.
PubChem CID: 139583188
LOTUS: LTS0186671
{NPAtlas: NPA000359
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bacillus | Bacillidae | Phasmatodea | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1001.1089999999998
TPSA？: 465.22000000000014
MolLogP？: 5.439580000000008
Number of H-Donors: 17
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|