4-carbamimidamidobutyl (3S)-1-imino-3-nonyl-2H,3H,5H,6H,7H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
AlkaPlorer ID: AK129564
Synonym: None
IUPAC Name: 4-(diaminomethylideneamino)butyl (3R)-1-amino-3-nonyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
Structure
SMILES: CCCCCCCCC[C@H]1NC(=N)N2CCCC2=C1C(=O)OCCCCNC(=N)N
InChI: InChI=1S/C22H40N6O2/c1-2-3-4-5-6-7-8-12-17-19(18-13-11-15-28(18)22(25)27-17)20(29)30-16-10-9-14-26-21(23)24/h17H,2-16H2,1H3,(H2,25,27)(H4,23,24,26)/t17-/m1/s1
InChIKey: CNYOJFKISRGTCX-QGZVFWFLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 420.60200000000026
TPSA？: 127.32
MolLogP？: 3.19004
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC50 | 11000.0 | nM | 10.1021/np501052a |
| Candida albicans | Candida albicans | MIC90 | 22000.0 | nM | 10.1021/np501052a |
| Cryptococcus gattii | Cryptococcus bacillisporus | MIC50 | 1100.0 | nM | 10.1021/np501052a |
| Cryptococcus gattii | Cryptococcus bacillisporus | MIC90 | 2600.0 | nM | 10.1021/np501052a |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC50 | 6100.0 | nM | 10.1021/np501052a |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC90 | 27000.0 | nM | 10.1021/np501052a |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC50 | 11000.0 | nM | 10.1021/np501052a |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC90 | 24000.0 | nM | 10.1021/np501052a |