(2R)-N-[(3R,4R,7R)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
AlkaPlorer ID: AK319169
Synonym: None
IUPAC Name: (2R)-N-[(3R,4R,7R,10Z)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Structure
SMILES: CN(C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@@H]1C(O)=N[C@H]1C(O)=N[C@H](CC2=CC=CC=C2)C(O)=N/C=C\C2=CC=C(C=C2)O[C@@H]1C1=CC=CC=C1
InChI: InChI=1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36+,37-,38-/m1/s1
InChIKey: WQGSMNQYDWWZGF-GIAQGFJGSA-N
Reference
Über Inhaltsstoffe von <i>Melochia pyramidata</i> L.
PubChem CID: 163188620
LOTUS: LTS0027378
SuperNatural Ⅲ: SN0417110-06
NPASS: NPC217114
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Galeopsis bifida | Galeopsis | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Torilis scabra | Torilis | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 699.8520000000002
TPSA？: 130.55
MolLogP？: 6.804300000000007
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|