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CHEBI:41314 - 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:41314
ChEBI Name2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
Stars
DownloadsMolfile
FormulaC22H19NO4S
Net Charge0
Average Mass393.464
Monoisotopic Mass393.10348
SMILES[H]OC(=O)[C@]1([H])N(S(=O)(=O)c2c([H])c([H])c(-c3c([H])c([H])c([H])c([H])c3[H])c([H])c2[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2C1([H])[H]
InChIInChI=1S/C22H19NO4S/c24-22(25)21-14-18-8-4-5-9-19(18)15-23(21)28(26,27)20-12-10-17(11-13-20)16-6-2-1-3-7-16/h1-13,21H,14-15H2,(H,24,25)/t21-/m1/s1
InChIKeyBNVMUDXGABBWGP-OAQYLSRUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (CHEBI:41314) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACIDPDBeChem
(3R)-2-(biphenyl-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidPDBeChem
Manual XrefsDatabases
BSIPDBeChem