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CHEBI:125840 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide

ChEBI IDCHEBI:125840
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC30H37N3O5S
Net Charge0
Average Mass551.709
Monoisotopic Mass551.24539
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)O3)cc1
InChIInChI=1S/C30H37N3O5S/c1-21-10-13-26(14-11-21)39(36,37)31-25-12-15-28-27(16-25)30(35)33(23(3)20-34)17-22(2)29(38-28)19-32(4)18-24-8-6-5-7-9-24/h5-16,22-23,29,31,34H,17-20H2,1-4H3/t22-,23-,29-/m1/s1
InChIKeyCRQBJZYLFKMVFS-VDWGHMIBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide (CHEBI:125840) is a sulfonamide (CHEBI:35358)
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