CHEBI:113823 - N-[(2S,3S)-5-[(2R)-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 Name N-[(2S,3S)-5-[(2R)-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 ID CHEBI:113823
Stars This entity has been manually annotated by a third party.
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Formula C29H36N4O5S
Net Charge 0
Average Mass 552.687
Monoisotopic Mass 552.24064
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+/m0/s1
InChIKey JBHIQUJYWNKFSD-OREGWCPLSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-5-[(2R)-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:113823) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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