(3S,6R,9S,18S,23aS)-6-[(2R)-butan-2-yl]-18-[(4-hydroxyphenyl)methyl]-3,9-bis(2-methylpropyl)-hexadecahydropyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,4,7,10,13,16,19-heptone
AlkaPlorer ID: AK118886
Synonym: None
IUPAC Name: (3S,12S,15R,18S,21S)-15-[(2R)-butan-2-yl]-3-[(4-hydroxyphenyl)methyl]-12,18-bis(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@@H](C)[C@H]1N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C(O)CN=C(O)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C36H55N7O8/c1-7-22(6)31-35(50)41-25(15-20(2)3)32(47)38-18-29(45)37-19-30(46)39-27(17-23-10-12-24(44)13-11-23)36(51)43-14-8-9-28(43)34(49)40-26(16-21(4)5)33(48)42-31/h10-13,20-22,25-28,31,44H,7-9,14-19H2,1-6H3,(H,37,45)(H,38,47)(H,39,46)(H,40,49)(H,41,50)(H,42,48)/t22-,25+,26+,27+,28+,31-/m1/s1
InChIKey: YOFPLKQHLAVSOC-IOBRMWBLSA-N
Reference
Pseudostellarins D - F, new tyrosinase inhibitory cyclic peptides from Pseudostellaria heterophylla
PubChem CID: 162925295
LOTUS: LTS0139167
SuperNatural Ⅲ: SN0455810-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stellaria palustris | Stellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 713.8770000000001
TPSA？: 236.08
MolLogP？: 5.291000000000004
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|