(2S)-2-(dimethylamino)-4-methyl-N-[(3R,4R,7R)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
AlkaPlorer ID: AK319140
Synonym: None
IUPAC Name: (2S)-2-(dimethylamino)-4-methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
Structure
SMILES: CC(C)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/c1-20(2)18-25-29(36)32-17-16-22-12-14-24(15-13-22)39-28(23-10-8-7-9-11-23)27(31(38)33-25)34-30(37)26(35(5)6)19-21(3)4/h7-17,20-21,25-28H,18-19H2,1-6H3,(H,32,36)(H,33,38)(H,34,37)/b17-16-/t25-,26-,27-,28-/m0/s1
InChIKey: ZKTFRIXUYOZICW-SPZUWTHGSA-N
Reference
Cyclic peptide alkaloids from the bark of Discaria americana
PubChem CID: 73352129
LOTUS: LTS0070365
SuperNatural Ⅲ: SN0473069-02
NPASS: NPC212850
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 |