(2S)-N-[(2R,3R)-1-[(3S,7S,10R)-10-[(2S)-butan-2-yl]-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: AK549521
Synonym: None
IUPAC Name: (2S)-N-[(2R,3R)-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-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]([C@@H](C)CC)N=C(O)[C@H]21)C=C3
InChI: InChI=1S/C36H49N5O5/c1-7-23(3)30-34(43)37-20-18-25-14-16-27(17-15-25)46-29-19-21-41(32(29)35(44)38-30)36(45)31(24(4)8-2)39-33(42)28(40(5)6)22-26-12-10-9-11-13-26/h9-18,20,23-24,28-32H,7-8,19,21-22H2,1-6H3,(H,37,43)(H,38,44)(H,39,42)/b20-18-/t23-,24+,28-,29-,30+,31+,32-/m0/s1
InChIKey: VNEXXKFUERBRNG-QXHBVCDESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus spina-christi | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 631.8180000000002
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 |
|---|