(14R)-15-[(4-aminobutyl)(3-aminopropyl)carbamoyl]-14-hydroxypentadecyl (1'S,2R,4'R,5'S,6R,7''S,10'S)-7''-ethyl-6-methyl-4'',7''-dihydro-3''H-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-7'-ene-5'-carboxylate
AlkaPlorer ID: AK233021
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCC[C@@H](O)CC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1
InChI: InChI=1S/C45H80N6O6/c1-3-38-23-14-15-26-44(57-38)34-36-24-25-39-41(45(27-19-21-35(2)56-45)49-43(48-44)51(36)39)42(54)55-32-18-12-10-8-6-4-5-7-9-11-13-22-37(52)33-40(53)50(31-20-29-47)30-17-16-28-46/h14,23,35-39,41,52H,3-13,15-22,24-34,46-47H2,1-2H3,(H,48,49)/t35-,36+,37-,38+,39-,41-,44+,45-/m1/s1
InChIKey: UBYMWGAADWDQPX-YSBRZPQFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fromia monilis | Fromia | Ophidiasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 801.1709999999996
TPSA？: 164.97
MolLogP？: 6.817000000000007
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|