CHEBI:129979 - 1-[[(2R,3R)-8-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2R,3R)-8-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
ChEBI ID CHEBI:129979
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H33FN4O6S
Net Charge 0
Average Mass 584.661
Monoisotopic Mass 584.21048
InChI InChI=1S/C29H33FN4O6S/c1-19-16-34(20(2)18-35)28(36)25-15-23(32-41(38,39)24-7-5-4-6-8-24)13-14-26(25)40-27(19)17-33(3)29(37)31-22-11-9-21(30)10-12-22/h4-15,19-20,27,32,35H,16-18H2,1-3H3,(H,31,37)/t19-,20-,27+/m1/s1
InChIKey JVHWMDYUDFIPKY-DVHCVUMVSA-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)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2R,3R)-8-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea (CHEBI:129979) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-41530 LINCS
View more database links