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

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ChEBI Name 3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester ChEBI ID CHEBI:105084 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H27NO6S Net Charge 0 Average Mass 469.552 Monoisotopic Mass 469.15591 InChI InChI=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 InChIKey FHTZPDQLIGELRN-UHFFFAOYSA-N SMILES CCC(C)C(C(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2)NS(=O)(=O)C4=CC=C(C=C4)C ChEBI Ontology Outgoing 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) Manual Xref Database LSM-16447 LINCS View more database links