CHEBI:117101 - 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester

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ChEBI Name 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester
ChEBI ID CHEBI:117101
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H31F3NO7PS
Net Charge 0
Average Mass 517.498
Monoisotopic Mass 517.15110
InChI InChI=1S/C20H31F3NO7PS/c1-7-29-18(25)19(20(21,22)23,24-33(27,28)17-10-8-16(6)9-11-17)32(26,30-12-14(2)3)31-13-15(4)5/h8-11,14-15,24H,7,12-13H2,1-6H3
InChIKey KREHTTSFYWSORW-UHFFFAOYSA-N
SMILES CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=C(C=C1)C)P(=O)(OCC(C)C)OCC(C)C
ChEBI Ontology
Outgoing 2-[bis(2-methylpropoxy)phosphoryl]-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester (CHEBI:117101) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-28548 LINCS
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