2-amino-N-{1-[({[(1E)-2-(6-bromo-1H-indol-3-yl)ethenyl]carbamoyl}methyl)carbamoyl]-2-(3,4-dihydroxyphenyl)ethyl}-3-(1H-imidazol-4-yl)propanamide
AlkaPlorer ID: AK357653
Synonym: None
IUPAC Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[2-[[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-2-oxoethyl]-3-(3,4-dihydroxyphenyl)propanamide
Structure
SMILES: NC(CC1=CN=CN1)C(O)=NC(CC1=CC=C(O)C(O)=C1)C(O)=NCC(O)=N/C=C/C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C27H28BrN7O5/c28-17-2-3-19-16(11-32-21(19)9-17)5-6-31-25(38)13-33-27(40)22(7-15-1-4-23(36)24(37)8-15)35-26(39)20(29)10-18-12-30-14-34-18/h1-6,8-9,11-12,14,20,22,32,36-37H,7,10,13,29H2,(H,30,34)(H,31,38)(H,33,40)(H,35,39)/b6-5+
InChIKey: CPVIHXZWYJGUHZ-AATRIKPKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Halocynthia roretzi | Halocynthia | Pyuridae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 610.4690000000002
TPSA？: 208.72
MolLogP？: 4.0862000000000025
Number of H-Donors: 8
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|