Halocyamine B
AlkaPlorer ID: AK299940
Synonym: None
IUPAC Name: 2-amino-N-[1-[[1-[[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]-3-hydroxybutanamide
Structure
SMILES: CC(O)C(N)C(=O)NC(CC1=CC=C(O)C(O)=C1)C(=O)NC(CC1=CNC=N1)C(=O)N/C=C/C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C29H32BrN7O6/c1-15(38)26(31)29(43)37-22(8-16-2-5-24(39)25(40)9-16)28(42)36-23(11-19-13-32-14-35-19)27(41)33-7-6-17-12-34-21-10-18(30)3-4-20(17)21/h2-7,9-10,12-15,22-23,26,34,38-40H,8,11,31H2,1H3,(H,32,35)(H,33,41)(H,36,42)(H,37,43)/b7-6+
InChIKey: MYFPARQKWRXYIK-VOTSOKGWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Halocynthia roretzi | Halocynthia | Pyuridae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 654.5220000000002
TPSA？: 218.48
MolLogP？: 1.3147000000000018
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|