(2S)-N-[(2R,3S)-1-[(3S,7S,10R)-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)-3-phenylpropanamide
AlkaPlorer ID: AK350791
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)-3-phenylpropanamide
Structure
SMILES: CC[C@H](C)[C@@H](N=C(O)[C@H](CC1=CC=CC=C1)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/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-20-/t26-,31+,32-,33-,34+,35-/m0/s1
InChIKey: BZXBQQGSSIQELG-YRZUYPTDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus spina-christi | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 665.8350000000004
TPSA？: 130.55
MolLogP？: 6.087600000000006
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|