Dianthin A
AlkaPlorer ID: AK120848
Synonym: ''
IUPAC Name: 2-[(2S,5S,11R,14S,17R)-5-benzyl-11-[(2R)-butan-2-yl]-17-[(4-hydroxyphenyl)methyl]-14-methyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]acetamide
Structure
SMILES: CC[C@@H](C)[C@H]1N=C(O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](C)N=C1O
InChI: InChI=1S/C33H43N7O8/c1-4-18(2)28-33(48)36-19(3)29(44)37-24(15-21-10-12-22(41)13-11-21)31(46)39-25(16-26(34)42)32(47)38-23(14-20-8-6-5-7-9-20)30(45)35-17-27(43)40-28/h5-13,18-19,23-25,28,41H,4,14-17H2,1-3H3,(H2,34,42)(H,35,45)(H,36,48)(H,37,44)(H,38,47)(H,39,46)(H,40,43)/t18-,19+,23+,24-,25+,28-/m1/s1
InChIKey: NJZRYHHNWXXWSJ-ODUAWMNUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dianthus superbus | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 665.7480000000002
TPSA？: 259.85
MolLogP？: 4.764370000000002
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|