CHEBI:108704 - 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea ChEBI ID CHEBI:108704 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 C30H36N4O6S Net Charge 0 Average Mass 580.697 Monoisotopic Mass 580.23556 InChI InChI=1S/C30H36N4O6S/c1-20-13-15-24(16-14-20)41(38,39)33(4)18-27-21(2)17-34(22(3)19-35)29(36)25-11-8-12-26(28(25)40-27)32-30(37)31-23-9-6-5-7-10-23/h5-16,21-22,27,35H,17-19H2,1-4H3,(H2,31,32,37)/t21-,22+,27+/m1/s1 InChIKey KABIQBXSOPPDGJ-VHSZZVNMSA-N SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC=C3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@@H](C)CO ChEBI Ontology Outgoing 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-phenylurea (CHEBI:108704) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-20103 LINCS View more database links