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CHEBI:123950 - N-[(2S,3S)-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 IDCHEBI:123950
ChEBI NameN-[(2S,3S)-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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DownloadsMolfile
FormulaC24H31Cl2N3O5S
Net Charge0
Average Mass544.501
Monoisotopic Mass543.13615
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=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+/m0/s1
InChIKeyNAVYBLYKXLXMDF-PBPSECFOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-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:123950) is a sulfonamide (CHEBI:35358)
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LSM-35392LINCS