methyl N-(4-{[(5S,10R)-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-yl]formamido}-2-oxobutyl)carbamate
AlkaPlorer ID: AK016504
Synonym: None
IUPAC Name: methyl N-[4-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-2-oxobutyl]carbamate
Structure
SMILES: COC(O)=NCC(=O)CCNC(=O)C1=NO[C@]2(C=C(Br)C(OC)=C(Br)[C@@H]2O)C1
InChI: InChI=1S/C16H19Br2N3O7/c1-26-12-9(17)5-16(13(23)11(12)18)6-10(21-28-16)14(24)19-4-3-8(22)7-20-15(25)27-2/h5,13,23H,3-4,6-7H2,1-2H3,(H,19,24)(H,20,25)/t13-,16+/m0/s1
InChIKey: QRCHFTPWKYEDNH-XJKSGUPXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhododendron arboreum | Rhododendron | Ericaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Subergorgia suberosa | Subergorgia | Subergorgiidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 525.1500000000001
TPSA？: 139.04000000000002
MolLogP？: 1.0435
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 50.0 | ug.mL-1 | 10.1021/np9805138 |