192197-62-9
AlkaPlorer ID: AK070678
Synonym: None
IUPAC Name: (4S,6R)-1,6-dimethyl-6-(1H-pyrrole-2-carbonyloxymethyl)-4,5-dihydropyrimidine-4-carboxylic acid
Structure
SMILES: CN1C=N[C@H](C(=O)O)C[C@]1(C)COC(=O)C1=CC=CN1
InChI: InChI=1S/C13H17N3O4/c1-13(6-10(11(17)18)15-8-16(13)2)7-20-12(19)9-4-3-5-14-9/h3-5,8,10,14H,6-7H2,1-2H3,(H,17,18)/t10-,13+/m0/s1
InChIKey: CWAAMSALISYLDC-GXFFZTMASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astrosclera willeyana | Astrosclera | Astroscleridae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 279.29599999999994
TPSA？: 94.99
MolLogP？: 0.747199999999999
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|