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CHEBI:105084 - 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester

ChEBI IDCHEBI:105084
ChEBI Name3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester
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FormulaC25H27NO6S
Net Charge0
Average Mass469.559
Monoisotopic Mass469.15591
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3
InChIInChI=1S/C25H27NO6S/c1-4-16(3)23(26-33(29,30)18-11-8-15(2)9-12-18)25(28)31-17-10-13-20-19-6-5-7-21(19)24(27)32-22(20)14-17/h8-14,16,23,26H,4-7H2,1-3H3
InChIKeyFHTZPDQLIGELRN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester (CHEBI:105084) is a isoleucine derivative (CHEBI:24899)
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