[2-Bromo-4-[3-[2-[2-[[3-[3-bromo-5-[3-bromo-5-[3-[2-[2-[[3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-hydroxyimino-3-oxopropyl]-2-hydroxyphenyl]-4-hydroxyphenyl]-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethylamino]-2-hydroxyimino-3-oxopropyl]phenyl] hydrogen sulfate
AlkaPlorer ID: AK030903
Synonym: None
IUPAC Name: None
Structure
SMILES: O=C(NCCSSCCNC(=O)C(CC1=CC(C2=C(O)C(Br)=CC(CC(=NO)C(=O)NCCSSCCNC(=O)C(CC3=CC(Br)=C(OS(=O)(=O)[O-])C=C3)=NO)=C2)=C(O)C(Br)=C1)=NO)C(CC1=CC(Br)=C(O)C=C1)=NO
InChI: InChI=1S/C44H46Br4N8O15S5/c45-29-15-23(1-3-37(29)57)19-33(53-64)41(60)49-5-9-72-74-11-7-51-43(62)35(55-66)21-25-13-27(39(58)31(47)17-25)28-14-26(18-32(48)40(28)59)22-36(56-67)44(63)52-8-12-75-73-10-6-50-42(61)34(54-65)20-24-2-4-38(30(46)16-24)71-76(68,69)70/h1-4,13-18,57-59,64-67H,5-12,19-22H2,(H,49,60)(H,50,61)(H,51,62)(H,52,63)(H,68,69,70)/p-1
InChIKey: RKHLMXBMCINETN-UHFFFAOYSA-M
Reference
COCONUT: CNP0465465
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysinella rhax | Aplysinella | Aplysinellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1405.836
TPSA？: 373.8800000000001
MolLogP？: 6.4782000000000055
Number of H-Donors: 11
Number of H-Acceptors: 23
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|