CHEBI:103087 - N-[(2R,3S)-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-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide
ChEBI ID CHEBI:103087
Stars This entity has been manually annotated by a third party.
Supplier Information
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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-/m0/s1
InChIKey QPCRGZWITIZHEP-MFEFFIJZSA-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-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CHEBI:103087) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-14432 LINCS
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