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CHEBI:127812 - N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide

ChEBI IDCHEBI:127812
ChEBI NameN-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide
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DownloadsMolfile
FormulaC27H33ClN4O8S2
Net Charge0
Average Mass641.168
Monoisotopic Mass640.14283
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc2c1O[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)CN([C@@H](C)CO)C2=O
InChIInChI=1S/C27H33ClN4O8S2/c1-16-13-32(17(2)15-33)27(34)22-7-6-8-23(30-41(35,36)26-18(3)29-40-19(26)4)25(22)39-24(16)14-31(5)42(37,38)21-11-9-20(28)10-12-21/h6-12,16-17,24,30,33H,13-15H2,1-5H3/t16-,17-,24-/m0/s1
InChIKeyYCBAHVPGHXUZCR-UAVUOLJFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:127812) is a sulfonamide (CHEBI:35358)
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