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CHEBI:94900 - N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-thiophenesulfonamide

ChEBI IDCHEBI:94900
ChEBI NameN-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-thiophenesulfonamide
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DownloadsMolfile
FormulaC27H31Cl2N3O5S2
Net Charge0
Average Mass612.601
Monoisotopic Mass611.10822
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O
InChIInChI=1S/C27H31Cl2N3O5S2/c1-17-13-32(18(2)16-33)27(34)20-6-4-7-23(30-39(35,36)25-8-5-11-38-25)26(20)37-24(17)15-31(3)14-19-9-10-21(28)22(29)12-19/h4-12,17-18,24,30,33H,13-16H2,1-3H3/t17-,18+,24+/m0/s1
InChIKeyIMPBBHMDJCWLCX-HOOSLVGPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-thiophenesulfonamide (CHEBI:94900) is a sulfonamide (CHEBI:35358)
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