15-{1-[(2S)-4-amino-2-hydroxybutyl]-5,6-dihydro-4H-pyrimidin-2-yl}pentadecyl (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: AK102250
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)OCCCCCCCCCCCCCCCC5=NCCCN5C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1
InChI: InChI=1S/C45H78N6O5/c1-3-38-22-16-17-27-44(56-38)33-36-24-25-39-41(45(28-19-21-35(2)55-45)49-43(48-44)51(36)39)42(53)54-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-40-47-30-20-31-50(40)34-37(52)26-29-46/h16,22,35-39,41,52H,3-15,17-21,23-34,46H2,1-2H3,(H,48,49)/t35-,36+,37+,38+,39-,41-,44+,45-/m1/s1
InChIKey: YHYVJJARSAEFQL-BPXWMNIUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fromia monilis | Fromia | Ophidiasteridae | Valvatida | Asteroidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 783.1560000000001
TPSA？: 134.23999999999998
MolLogP？: 7.743800000000009
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|