N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide (CHEBI:108822)

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CHEBI:108822 - N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide

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ChEBI ID	CHEBI:108822
ChEBI Name	N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide
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Downloads	Molfile

Formula	C31H37N3O8S
Net Charge	0
Average Mass	611.717
Monoisotopic Mass	611.23014
SMILES	COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc4c(c2)OCO4)[C@H](C)CN([C@@H](C)CO)C3=O)cc1
InChI	InChI=1S/C31H37N3O8S/c1-20-15-34(21(2)18-35)31(36)25-6-5-7-26(32-43(37,38)24-11-9-23(39-4)10-12-24)30(25)42-29(20)17-33(3)16-22-8-13-27-28(14-22)41-19-40-27/h5-14,20-21,29,32,35H,15-19H2,1-4H3/t20-,21+,29-/m1/s1
InChIKey	AELUQFUEWCFKFM-HNMNOHOESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide (CHEBI:108822) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-20221	LINCS