(2S)-N-[(2R,3S)-1-[(3R,7R,10S)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),13,15,18-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-4-methylpentanamide
AlkaPlorer ID: AK560574
Synonym: None
IUPAC Name: (2S)-N-[(2R,3S)-1-[(3S,7S,10R,13Z)-10-benzyl-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-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-4-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@@H](N=C(O)[C@H](CC(C)C)N(C)C)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/C36H49N5O5/c1-7-24(4)31(39-34(43)29(40(5)6)21-23(2)3)36(45)41-20-18-30-32(41)35(44)38-28(22-26-11-9-8-10-12-26)33(42)37-19-17-25-13-15-27(46-30)16-14-25/h8-17,19,23-24,28-32H,7,18,20-22H2,1-6H3,(H,37,42)(H,38,44)(H,39,43)/b19-17-/t24-,28+,29-,30-,31+,32-/m0/s1
InChIKey: WNFWWKQIJLMBCL-STCPQPEUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus spina-christi | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 631.8180000000003
TPSA？: 130.55
MolLogP？: 5.891000000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|