CHEBI:124775 - N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide

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ChEBI Name N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
ChEBI ID CHEBI:124775
Stars This entity has been manually annotated by a third party.
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Formula C21H33N3O5S
Net Charge 0
Average Mass 439.571
Monoisotopic Mass 439.21409
InChI InChI=1S/C21H33N3O5S/c1-14-10-24(15(2)13-25)21(26)18-9-17(22-30(4,27)28)7-8-19(18)29-20(14)12-23(3)11-16-5-6-16/h7-9,14-16,20,22,25H,5-6,10-13H2,1-4H3/t14-,15-,20-/m1/s1
InChIKey BGZVNGLBILQJCV-STXHMFSFSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3CC3)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:124775) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36217 LINCS
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