CHEBI:108841 - N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide
ChEBI ID CHEBI:108841
Stars This entity has been manually annotated by a third party.
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Formula C29H44N4O6S
Net Charge 0
Average Mass 576.750
Monoisotopic Mass 576.29816
InChI InChI=1S/C29H44N4O6S/c1-19-15-33(20(2)18-34)28(35)14-24-13-25(31-40(36,37)29-21(3)30-39-22(29)4)11-12-26(24)38-27(19)17-32(5)16-23-9-7-6-8-10-23/h11-13,19-20,23,27,31,34H,6-10,14-18H2,1-5H3/t19-,20-,27-/m1/s1
InChIKey FITMUQCJUCLPTO-SEXOINJZSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:108841) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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