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CHEBI:130365 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide

ChEBI IDCHEBI:130365
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide
Stars
DownloadsMolfile
FormulaC30H37N3O9S2
Net Charge0
Average Mass647.772
Monoisotopic Mass647.19712
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1
InChIInChI=1S/C30H37N3O9S2/c1-20-17-33(21(2)19-34)30(35)26-7-6-8-27(31-43(36,37)24-13-9-22(40-4)10-14-24)29(26)42-28(20)18-32(3)44(38,39)25-15-11-23(41-5)12-16-25/h6-16,20-21,28,31,34H,17-19H2,1-5H3/t20-,21-,28-/m1/s1
InChIKeyLPGYQMOCGVTLEG-UMQWNRPGSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide (CHEBI:130365) is a sulfonamide (CHEBI:35358)
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