(2S)-N-[(2S)-1-[(3S,7S,10R)-10-[(2S)-butan-2-yl]-16-methoxy-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: AK585490
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-[(3R,7S,10S,13Z)-10-[(2S)-butan-2-yl]-16-methoxy-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(OC)C(=C2)/C=C\N=C1O
InChI: InChI=1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16-/t24-,28-,29-,31+,32-,33-/m0/s1
InChIKey: YTPWZBXRZAQHQB-LGDSTGCLSA-N
Reference
Cyclopeptide alkaloids from Ziziphus mucronata
PubChem CID: 163194746
LOTUS: LTS0064405
SuperNatural Ⅲ: SN0459910-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus mucronata | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 661.8440000000002
TPSA？: 139.78
MolLogP？: 5.899600000000005
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|