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CHEBI:130150 - N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide

ChEBI IDCHEBI:130150
ChEBI NameN-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
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FormulaC25H33N3O7S
Net Charge0
Average Mass519.620
Monoisotopic Mass519.20392
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NS(C)(=O)=O)cc2C1=O
InChIInChI=1S/C25H33N3O7S/c1-16-11-28(17(2)14-29)25(30)20-10-19(26-36(4,31)32)6-8-21(20)35-24(16)13-27(3)12-18-5-7-22-23(9-18)34-15-33-22/h5-10,16-17,24,26,29H,11-15H2,1-4H3/t16-,17+,24-/m0/s1
InChIKeyBIPWQDPXNYPYPT-SRGWNRLKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:130150) is a sulfonamide (CHEBI:35358)
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