[(1S,2R,3R,4S,5R,6R,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(2R)-3-carbamoyl-2-methylpropanamido]benzoate
AlkaPlorer ID: AK319949
Synonym: None
IUPAC Name: [(6S,8R,9R,13S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-amino-2-methyl-4-oxobutanoyl)amino]benzoate
Structure
SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N=C(O)C(C)CC(=N)O)CCC(OC)C34C5CC6C(OC)C5[C@](O)(C[C@@H]6OC)[C@](O)(C(OC)C32)C14
InChI: InChI=1S/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21?,22?,24-,25?,27?,28?,29?,30?,33?,34-,35+,36?,37-/m0/s1
InChIKey: NXAZXMKMGPWXII-MROJAXEHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Staphisagria macrosperma | Staphisagria | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aconitum carmichaelii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 699.8420000000004
TPSA？: 183.59
MolLogP？: 3.2851700000000035
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|