CHEBI:167632 - JTE-607(2+)

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ChEBI Name JTE-607(2+)
ChEBI ID CHEBI:167632
Definition An organic cation obtained by protonation of the two tertiary amino groups of JTE-607 free base.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C25H33Cl2N3O5
Net Charge +2
Average Mass 526.450
Monoisotopic Mass 525.17863
InChI InChI=1S/C25H31Cl2N3O5/c1-3-34-25(33)20(15-17-7-5-4-6-8-17)28-24(32)18-16-19(26)23(21(27)22(18)31)35-14-13-30-11-9-29(2)10-12-30/h4-8,16,20,31H,3,9-15H2,1-2H3,(H,28,32)/p+2/t20-/m0/s1
InChIKey IPSSXIMJJXSJQB-FQEVSTJZSA-P
SMILES CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCC[NH+]2CC[NH+](C)CC2)C(Cl)=C1O
ChEBI Ontology
Outgoing JTE-607(2+) (CHEBI:167632) is a ammonium ion derivative (CHEBI:35274)
JTE-607(2+) (CHEBI:167632) is a organic cation (CHEBI:25697)
JTE-607(2+) (CHEBI:167632) is conjugate acid of JTE-607 free base (CHEBI:167630)
Incoming JTE-607 dihydrochloride (CHEBI:167629) has part JTE-607(2+) (CHEBI:167632)
JTE-607 free base (CHEBI:167630) is conjugate base of JTE-607(2+) (CHEBI:167632)
IUPAC Name
ethyl N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazinediium-1-yl)ethoxy]benzoyl}-L-phenylalaninate
Synonyms Sources
1-[2-(2,6-dichloro-4-{[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-hydroxyphenoxy)ethyl]-4-methylpiperazinediium IUPAC
JTE-607 dication ChEBI
Last Modified
10 March 2021