(3R,7R,10S)-10-benzyl-6-[(2S,3S)-3-methyl-2-(methylamino)pentanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),13,15,18-tetraene-8,11-dione
AlkaPlorer ID: AK429914
Synonym: None
IUPAC Name: (3S,7S,10R,13Z)-10-benzyl-6-[(2S,3S)-3-methyl-2-(methylamino)pentanoyl]-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraene-8,11-dione
Structure
SMILES: CC[C@H](C)[C@H](NC)C(=O)N1CC[C@@H]2OC3=CC=C(/C=C\N=C(O)[C@@H](CC4=CC=CC=C4)N=C(O)[C@H]21)C=C3
InChI: InChI=1S/C29H36N4O4/c1-4-19(2)25(30-3)29(36)33-17-15-24-26(33)28(35)32-23(18-21-8-6-5-7-9-21)27(34)31-16-14-20-10-12-22(37-24)13-11-20/h5-14,16,19,23-26,30H,4,15,17-18H2,1-3H3,(H,31,34)(H,32,35)/b16-14-/t19-,23+,24-,25-,26-/m0/s1
InChIKey: KBJGCLMIERBXJA-VVCUPKIQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus spina-christi | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 504.63100000000014
TPSA？: 106.75
MolLogP？: 4.177600000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|