None
AlkaPlorer ID: AK325360
Synonym: None
IUPAC Name: (2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-4-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](CC(C)C)N(C)C)[C@H](C2=CC=CC=C2)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(23-11-9-8-10-12-23)27(31(38)33-26)34-29(36)25(35(5)6)19-20(2)3/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: FMWVLOOFBWURQV-WHRPCMNDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 534.7010000000002
TPSA？: 110.24
MolLogP？: 6.420100000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | 50.0 | ug | 10.1021/np400313w |
| Candida dubliniensis | Candida dubliniensis | Activity | 50.0 | ug | 10.1021/np400313w |
| Candida tropicalis | Candida tropicalis | Activity | 50.0 | ug | 10.1021/np400313w |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | 50.0 | ug | 10.1021/np400313w |
| Escherichia coli | Escherichia coli | Activity | 50.0 | ug | 10.1021/np400313w |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Activity | 50.0 | ug | 10.1021/np400313w |
| Kocuria rhizophila | Kocuria rhizophila | Activity | 50.0 | ug | 10.1021/np400313w |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | 50.0 | ug | 10.1021/np400313w |
| Staphylococcus aureus | Staphylococcus aureus | Activity | 50.0 | ug | 10.1021/np400313w |
| Staphylococcus epidermidis | Staphylococcus epidermidis | Activity | 50.0 | ug | 10.1021/np400313w |
| None | NON-PROTEIN TARGET | Activity | 50.0 | ug | 10.1021/np400313w |