9,12-bis(hydroxymethyl)-18-[(1H-indol-3-yl)methyl]-15-(2-methylpropyl)-docosahydro-1H-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,4,7,10,13,16,19-heptone
AlkaPlorer ID: AK029274
Synonym: None
IUPAC Name: (3S,6S,9S,12S,21S)-9,12-bis(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N=C1O
InChI: InChI=1S/C32H44N8O9/c1-17(2)10-21-28(45)38-22(11-18-12-33-20-7-4-3-6-19(18)20)32(49)40-9-5-8-25(40)31(48)35-13-26(43)34-14-27(44)36-23(15-41)29(46)39-24(16-42)30(47)37-21/h3-4,6-7,12,17,21-25,33,41-42H,5,8-11,13-16H2,1-2H3,(H,34,43)(H,35,48)(H,36,44)(H,37,47)(H,38,45)(H,39,46)/t21-,22-,23-,24-,25-/m0/s1
InChIKey: UIYXVCKLYOHIGF-KEOOTSPTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gypsophila arabica | Gypsophila | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 684.7510000000002
TPSA？: 272.1
MolLogP？: 1.959100000000006
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|