Petromyzonamine disulfate
AlkaPlorer ID: AK277447
Synonym: None
IUPAC Name: [(3S,5R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R,5R)-6-methyl-5-sulfonatooxyheptan-2-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] sulfate
Structure
SMILES: CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OS(=O)(=O)[O-])C[C@H]4C[C@@H](NCCCN5CCCC5=O)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)[O-]
InChI: InChI=1S/C34H60N2O9S2/c1-22(2)29(44-46(38,39)40)12-9-23(3)26-10-11-27-32-28(14-16-34(26,27)5)33(4)15-13-25(20-24(33)21-30(32)45-47(41,42)43)35-17-7-19-36-18-6-8-31(36)37/h22-30,32,35H,6-21H2,1-5H3,(H,38,39,40)(H,41,42,43)/p-2/t23-,24-,25+,26-,27+,28+,29-,30-,32+,33+,34-/m1/s1
InChIKey: RBCRNQVWZXGQQB-XPXIFHNOSA-L
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Helianthus mollis | Helianthus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dysidea arenaria | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 702.9770000000004
TPSA？: 165.20000000000002
MolLogP？: 4.989000000000005
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|