CHEBI:124337 - N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
ChEBI ID CHEBI:124337
Stars This entity has been manually annotated by a third party.
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Formula C26H32FN3O6S
Net Charge 0
Average Mass 533.614
Monoisotopic Mass 533.19959
InChI InChI=1S/C26H32FN3O6S/c1-16-13-30(17(2)15-31)26(33)22-12-20(28-25(32)18-4-5-18)8-11-23(22)36-24(16)14-29(3)37(34,35)21-9-6-19(27)7-10-21/h6-12,16-18,24,31H,4-5,13-15H2,1-3H3,(H,28,32)/t16-,17-,24-/m1/s1
InChIKey AVAQDGZIUQEYTO-HOZJOUCCSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:124337) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35779 LINCS
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