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CHEBI:40406 - (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE

Default Structure
ChEBI IDCHEBI:40406
ChEBI Name(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC25H28FN5O6S
Net Charge0
Average Mass545.593
Monoisotopic Mass545.17443
SMILES[H]/N=C(/c1c([H])c([H])c(N([H])[C@@]([H])(C(=O)N([H])S(=O)(=O)c2c([H])c([H])c([H])c(N([H])[H])c2[H])c2c([H])c(OC([H])([H])C([H])([H])[H])c([H])c(OC([H])([H])C([H])([H])[H])c2F)c([H])c1O[H])N([H])[H]
InChIInChI=1S/C25H28FN5O6S/c1-3-36-16-12-19(22(26)21(13-16)37-4-2)23(30-15-8-9-18(24(28)29)20(32)11-15)25(33)31-38(34,35)17-7-5-6-14(27)10-17/h5-13,23,30,32H,3-4,27H2,1-2H3,(H3,28,29)(H,31,33)/t23-/m1/s1
InChIKeyMLPXCKVDBGAVRJ-HSZRJFAPSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE (CHEBI:40406) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R)-N-[(3-aminophenyl)sulfonyl]-2-[(4-carbamimidoyl-3-hydroxyphenyl)amino]-2-(3,5-diethoxy-2-fluorophenyl)ethanamidePDBeChem
(R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINEPDBeChem
Manual XrefsDatabases
905PDBeChem