N-{1-[(13Z)-10-(butan-2-yl)-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,?]nonadeca-1(17),13,15,18-tetraen-6-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl}-2-(dimethylamino)-4-methylpentanamide
AlkaPlorer ID: AK384846
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-[(3S,7S,10R,13Z)-10-[(2S)-butan-2-yl]-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-(dimethylamino)-4-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@H]1N=C(O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](CC(C)C)N(C)C)OC2=CC=C(/C=C\N=C1O)C=C2
InChI: InChI=1S/C38H50N6O5/c1-7-24(4)33-36(46)39-18-16-25-12-14-27(15-13-25)49-32-17-19-44(34(32)37(47)42-33)38(48)30(41-35(45)31(43(5)6)20-23(2)3)21-26-22-40-29-11-9-8-10-28(26)29/h8-16,18,22-24,30-34,40H,7,17,19-21H2,1-6H3,(H,39,46)(H,41,45)(H,42,47)/b18-16-/t24-,30-,31-,32-,33+,34-/m0/s1
InChIKey: GAIJJGBWWFCJPU-PQPCLGSFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus spina-christi | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 670.8550000000001
TPSA？: 146.34
MolLogP？: 6.372300000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|