(2S)-N-[(3S,4R,7R)-7-[(2S)-butan-2-yl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-phenylpropanamide
AlkaPlorer ID: AK465496
Synonym: None
IUPAC Name: (2S)-N-[(3S,4R,7R,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-phenylpropanamide
Structure
SMILES: CC[C@H](C)[C@H]1N=C(O)[C@H](N=C(O)[C@H](CC2=CC=CC=C2)N(C)C)[C@H](C(C)C)OC2=CC=C(/C=C\N=C1O)C=C2
InChI: InChI=1S/C31H42N4O4/c1-7-21(4)26-30(37)32-18-17-22-13-15-24(16-14-22)39-28(20(2)3)27(31(38)33-26)34-29(36)25(35(5)6)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)/b18-17-/t21-,25-,26+,27+,28-/m0/s1
InChIKey: NFJKQANKUCVGAW-PYIDIWCOSA-N
Reference
Cyclopeptide alkaloids from Melochia corchorifolia
PubChem CID: 163188393
LOTUS: LTS0124843
SuperNatural Ⅲ: SN0244016-21
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melochia corchorifolia | Melochia | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 534.7010000000002
TPSA？: 110.24
MolLogP？: 5.900000000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|