CHEBI:128112 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
ChEBI ID CHEBI:128112
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C35H39N3O6S
Net Charge 0
Average Mass 629.768
Monoisotopic Mass 629.25596
InChI InChI=1S/C35H39N3O6S/c1-25-21-38(26(2)24-39)35(40)32-20-28(36-45(41,42)31-12-8-5-9-13-31)16-19-33(32)44-34(25)23-37(3)22-27-14-17-30(18-15-27)43-29-10-6-4-7-11-29/h4-20,25-26,34,36,39H,21-24H2,1-3H3/t25-,26-,34-/m1/s1
InChIKey MURCZWOVERITEN-WAWDLJLISA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:128112) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-39668 LINCS
View more database links