CHEBI:124558 - 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
ChEBI ID CHEBI:124558
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H38N4O6S
Net Charge 0
Average Mass 594.724
Monoisotopic Mass 594.25121
InChI InChI=1S/C31H38N4O6S/c1-21-10-13-27(14-11-21)42(39,40)33-26-12-15-28-24(16-26)17-30(37)35(23(3)20-36)18-22(2)29(41-28)19-34(4)31(38)32-25-8-6-5-7-9-25/h5-16,22-23,29,33,36H,17-20H2,1-4H3,(H,32,38)/t22-,23-,29+/m1/s1
InChIKey FOMJAWNNVOQBNI-SGQNLQFHSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@H]1CN(C)C(=O)NC4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-9-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:124558) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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