(2S,3S)-N-[(3R,4S,7S,11R)-7-benzyl-11-hydroxy-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide
AlkaPlorer ID: AK325086
Synonym: None
IUPAC Name: (2S,3S)-N-[(3R,4S,7S)-7-benzyl-11-hydroxy-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]-2-(dimethylamino)-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@@H](C(O)=N[C@@H]1C(O)=N[C@@H](CC2=CC=CC=C2)C(O)=NCC(O)C2=CC=C(C=C2)O[C@@H]1C(C)C)N(C)C
InChI: InChI=1S/C31H44N4O5/c1-7-20(4)27(35(5)6)31(39)34-26-28(19(2)3)40-23-15-13-22(14-16-23)25(36)18-32-29(37)24(33-30(26)38)17-21-11-9-8-10-12-21/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)/t20-,24-,25?,26-,27-,28+/m0/s1
InChIKey: STKZKAJIJHJDCQ-RETZBPDQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oenanthe crocata | Oenanthe | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Panda oleosa | Panda | Pandaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Hedera helix | Hedera | Araliaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Panax ginseng | Panax | Araliaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 552.7160000000001
TPSA？: 130.47000000000003
MolLogP？: 4.962700000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|