(1S,7S,10S,13S,19S,22S,25S,28S)-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-25,28-bis(2-methylpropyl)-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriacontan-2,8,11,14,20,23,26,29-octone
AlkaPlorer ID: AK361828
Synonym: None
IUPAC Name: 22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-25,28-bis(2-methylpropyl)-3,9,12,15,21,24,27,30-octazatetracyclo[28.3.0.03,7.015,19]tritriacontane-2,8,11,14,20,23,26,29-octone
Structure
SMILES: CC(C)CC1N=C(O)C(CC(C)C)N=C(O)C(CC2=CC=C(O)C=C2)N=C(O)C2CCCN2C(=O)C(C)N=C(O)C(C)N=C(O)C2CCCN2C(=O)C2CCCN2C1=O
InChI: InChI=1S/C42H62N8O9/c1-23(2)20-29-36(53)47-31(21-24(3)4)41(58)50-19-9-12-34(50)42(59)49-18-8-10-32(49)38(55)43-25(5)35(52)44-26(6)40(57)48-17-7-11-33(48)39(56)46-30(37(54)45-29)22-27-13-15-28(51)16-14-27/h13-16,23-26,29-34,51H,7-12,17-22H2,1-6H3,(H,43,55)(H,44,52)(H,45,54)(H,46,56)(H,47,53)
InChIKey: CZLLFFWTDRQIDR-UHFFFAOYSA-N
Reference
Gypsins A−D from <i>Gypsophila arabica</i>
PubChem CID: 163065704
LOTUS: LTS0041753
COCONUT: CNP0357006.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gypsophila arabica | Gypsophila | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 823.0049999999997
TPSA？: 244.11
MolLogP？: 4.678800000000005
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|