CHEBI:123990 - 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea ChEBI ID CHEBI:123990 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H38N4O6S Net Charge 0 Average Mass 546.681 Monoisotopic Mass 546.25121 InChI InChI=1S/C27H38N4O6S/c1-17(2)28-27(34)30(6)15-25-19(4)14-31(20(5)16-32)26(33)23-13-21(9-12-24(23)37-25)29-38(35,36)22-10-7-18(3)8-11-22/h7-13,17,19-20,25,29,32H,14-16H2,1-6H3,(H,28,34)/t19-,20+,25+/m1/s1 InChIKey HJQIIGSKSQOFKI-RNHFSVANSA-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)C(=O)NC(C)C)[C@@H](C)CO ChEBI Ontology Outgoing 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:123990) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-35432 LINCS View more database links