(2S)-2-amino-N-({[(1S)-1-[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]carbamoyl}methyl)-3-methylbutanamide
AlkaPlorer ID: AK240544
Synonym: None
IUPAC Name: (2S)-2-amino-N-[2-[[(1S)-1-[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]amino]-2-oxoethyl]-3-methylbutanamide
Structure
SMILES: COC1=CC2=C(C=C1OC)[C@@H]([C@H](C)N=C(O)CN=C(O)[C@@H](N)C(C)C)N(C)CC2
InChI: InChI=1S/C21H34N4O4/c1-12(2)19(22)21(27)23-11-18(26)24-13(3)20-15-10-17(29-6)16(28-5)9-14(15)7-8-25(20)4/h9-10,12-13,19-20H,7-8,11,22H2,1-6H3,(H,23,27)(H,24,26)/t13-,19-,20+/m0/s1
InChIKey: WZFBAZHBMOAWPY-QTJFZDIUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus spina-christi | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 406.5270000000002
TPSA？: 112.9
MolLogP？: 2.5176000000000007
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|