N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide (CHEBI:111573)

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CHEBI:111573 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide

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ChEBI ID	CHEBI:111573
ChEBI Name	N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
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Downloads	Molfile

Formula	C29H36N4O5S
Net Charge	0
Average Mass	552.697
Monoisotopic Mass	552.24064
SMILES	Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccncc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1
InChI	InChI=1S/C29H36N4O5S/c1-20-8-10-24(11-9-20)39(36,37)31-26-7-5-6-25-28(26)38-27(18-32(4)17-23-12-14-30-15-13-23)21(2)16-33(29(25)35)22(3)19-34/h5-15,21-22,27,31,34H,16-19H2,1-4H3/t21-,22+,27+/m1/s1
InChIKey	JBHIQUJYWNKFSD-VHSZZVNMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide (CHEBI:111573) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-22987	LINCS