CHEBI:123714 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
ChEBI ID CHEBI:123714
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H39N3O6S
Net Charge 0
Average Mass 593.736
Monoisotopic Mass 593.25596
InChI InChI=1S/C32H39N3O6S/c1-22-10-13-28(14-11-22)42(39,40)34(4)20-30-23(2)19-35(24(3)21-36)32(38)18-26-17-27(12-15-29(26)41-30)33-31(37)16-25-8-6-5-7-9-25/h5-15,17,23-24,30,36H,16,18-21H2,1-4H3,(H,33,37)/t23-,24-,30-/m1/s1
InChIKey JFKKEIVDTMFBMW-BOYVUMAVSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide (CHEBI:123714) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35156 LINCS
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