CHEBI:102475 - N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
ChEBI ID CHEBI:102475
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H31FN2O7S
Net Charge 0
Average Mass 510.578
Monoisotopic Mass 510.18360
InChI InChI=1S/C24H31FN2O7S/c1-16(12-27(17(2)14-28)35(30,31)20-8-6-19(25)7-9-20)23(32-4)13-26(3)24(29)18-5-10-21-22(11-18)34-15-33-21/h5-11,16-17,23,28H,12-15H2,1-4H3/t16-,17-,23-/m1/s1
InChIKey QPCRGZWITIZHEP-SEPYTNNBSA-N
SMILES C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)C(=O)C2=CC3=C(C=C2)OCO3)OC
ChEBI Ontology
Outgoing N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:102475) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-13825 LINCS
View more database links