3-[(1H-indol-3-yl)methyl]-6,15-bis(2-methylpropyl)-1,4,7,13,16,19-hexaazatricyclo[19.3.0.0?,¹³]tetracosane-2,5,8,14,17,20-hexone
AlkaPlorer ID: AK029211
Synonym: None
IUPAC Name: (3S,6S,9S,15S,21S)-3-(1H-indol-3-ylmethyl)-6,15-bis(2-methylpropyl)-1,4,7,13,16,19-hexazatricyclo[19.3.0.09,13]tetracosane-2,5,8,14,17,20-hexone
Structure
SMILES: CC(C)C[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C35H49N7O6/c1-20(2)15-25-31(44)40-27(17-22-18-36-24-10-6-5-9-23(22)24)35(48)41-13-7-11-28(41)32(45)37-19-30(43)38-26(16-21(3)4)34(47)42-14-8-12-29(42)33(46)39-25/h5-6,9-10,18,20-21,25-29,36H,7-8,11-17,19H2,1-4H3,(H,37,45)(H,38,43)(H,39,46)(H,40,44)/t25-,26-,27-,28-,29-/m0/s1
InChIKey: RCSHMCFACQFAIQ-ZIUUJSQJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gypsophila arabica | Gypsophila | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 663.8199999999999
TPSA？: 186.77
MolLogP？: 4.730000000000003
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|