CHEBI:128985 - N-[[(2S,3R)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2S,3R)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
ChEBI ID CHEBI:128985
Stars This entity has been manually annotated by a third party.
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Formula C29H34ClN3O8S2
Net Charge 0
Average Mass 652.182
Monoisotopic Mass 651.14759
InChI InChI=1S/C29H34ClN3O8S2/c1-19-16-33(20(2)18-34)29(35)25-6-5-7-26(31-42(36,37)23-12-8-21(30)9-13-23)28(25)41-27(19)17-32(3)43(38,39)24-14-10-22(40-4)11-15-24/h5-15,19-20,27,31,34H,16-18H2,1-4H3/t19-,20-,27-/m1/s1
InChIKey YEWGEYLCFYCWJX-SEXOINJZSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(2S,3R)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:128985) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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