(3S)-2'-bromo-5'-[[(3S)-4'-bromo-8-hydroxy-3'-oxospiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),4,8,10,12(16)-hexaene-3,6'-cyclohexa-1,4-diene]-1'-yl]disulfanyl]-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),4,8,10,12(16)-hexaene-3,4'-cyclohexa-2,5-diene]-1'-one
AlkaPlorer ID: AK070498
Synonym: None
IUPAC Name: (3S)-2'-bromo-5'-[[(3S)-4'-bromo-8-hydroxy-3'-oxospiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),4,8,10,12(16)-hexaene-3,6'-cyclohexa-1,4-diene]-1'-yl]disulfanyl]-8-hydroxyspiro[6,10,15-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),4,8,10,12(16)-hexaene-3,4'-cyclohexa-2,5-diene]-1'-one
Structure
SMILES: O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23C=CNC2=C3C3=NCCC4=C3C(=C2O)N=C4)[C@@]2(C=CNC3=C2C2=NCCC4=C2C(=C3O)N=C4)C=C1Br
InChI: InChI=1S/C36H22Br2N6O4S2/c37-17-11-35(3-7-41-31-25(35)27-23-15(1-5-39-27)13-43-29(23)33(31)47)21(9-19(17)45)49-50-22-10-20(46)18(38)12-36(22)4-8-42-32-26(36)28-24-16(2-6-40-28)14-44-30(24)34(32)48/h3-4,7-14,41-42,47-48H,1-2,5-6H2/t35-,36-/m1/s1
InChIKey: QFIQHHCXUZIGRL-LQFQNGICSA-N
Reference
PubChem CID: 135466418
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 826.5519999999999
TPSA？: 148.10000000000002
MolLogP？: 4.804000000000005
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|