N-[(6aS,8S)-2-(1,3-benzodioxol-5-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3,3-dimethylbutanamide
AlkaPlorer ID: AK511923
Synonym: None
IUPAC Name: N-[(6aS,8S)-2-(1,3-benzodioxol-5-yl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3,3-dimethylbutanamide
Structure
SMILES: CC(C)(C)CC(=O)N[C@H]1C[C@H]2C(=O)NC3=CC=C(C4=CC=C5OCOC5=C4)C=C3C(=O)N2C1
InChI: InChI=1S/C25H27N3O5/c1-25(2,3)11-22(29)26-16-10-19-23(30)27-18-6-4-14(8-17(18)24(31)28(19)12-16)15-5-7-20-21(9-15)33-13-32-20/h4-9,16,19H,10-13H2,1-3H3,(H,26,29)(H,27,30)/t16-,19-/m0/s1
InChIKey: RJWMHADLKIODMX-LPHOPBHVSA-N
Reference
Lignans from <i>Saururus chinensis</i> with Inhibitory Effects on Nitric Oxide Production
PubChem CID: 9422047
Source
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Properties Information
Molecule Weight: 449.5070000000003
TPSA？: 96.97
MolLogP？: 3.169900000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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