CHEBI:124561 - N-[(2S,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]methanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,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]methanesulfonamide
ChEBI ID CHEBI:124561
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H32N4O5S
Net Charge 0
Average Mass 476.591
Monoisotopic Mass 476.20934
InChI InChI=1S/C23H32N4O5S/c1-16-12-27(17(2)15-28)23(29)19-6-5-7-20(25-33(4,30)31)22(19)32-21(16)14-26(3)13-18-8-10-24-11-9-18/h5-11,16-17,21,25,28H,12-15H2,1-4H3/t16-,17+,21-/m1/s1
InChIKey XSVWXWXXBTWSOZ-LLGFUMIMSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3=CC=NC=C3)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,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]methanesulfonamide (CHEBI:124561) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36003 LINCS
View more database links