CHEBI:124428 - N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-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-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
ChEBI ID CHEBI:124428
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H31Cl2N3O5S
Net Charge 0
Average Mass 544.493
Monoisotopic Mass 543.13615
InChI InChI=1S/C24H31Cl2N3O5S/c1-15-11-29(16(2)14-30)24(31)19-10-18(27-35(4,32)33)6-8-22(19)34-23(15)13-28(3)12-17-5-7-20(25)21(26)9-17/h5-10,15-16,23,27,30H,11-14H2,1-4H3/t15-,16+,23+/m1/s1
InChIKey NAVYBLYKXLXMDF-SYJLOODJSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:124428) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35870 LINCS
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