(2S)-N-[(2S)-1-[(3R,7R,10S)-10-[(2S)-butan-2-yl]-16-hydroxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide
AlkaPlorer ID: AK450533
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-[(3R,7R,10S,13Z)-10-[(2S)-butan-2-yl]-16-hydroxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H]2[C@@H](CCN2C(=O)[C@H](CC(C)C)N=C(O)[C@H](CC2=CC=CC=C2)N(C)C)OC2=CC=C(O)C(=C2)/C=C\N=C1O
InChI: InChI=1S/C36H49N5O6/c1-7-23(4)31-34(44)37-17-15-25-21-26(13-14-29(25)42)47-30-16-18-41(32(30)35(45)39-31)36(46)27(19-22(2)3)38-33(43)28(40(5)6)20-24-11-9-8-10-12-24/h8-15,17,21-23,27-28,30-32,42H,7,16,18-20H2,1-6H3,(H,37,44)(H,38,43)(H,39,45)/b17-15-/t23-,27-,28-,30+,31-,32+/m0/s1
InChIKey: LWRYKADLUSDOLT-KARYPJENSA-N
Reference
Cyclopeptide alkaloids from Ziziphus mucronata
PubChem CID: 163186687
LOTUS: LTS0039160
SuperNatural Ⅲ: SN0217485-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus mucronata | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 647.8170000000002
TPSA？: 150.78
MolLogP？: 5.596600000000005
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|