CHEBI:124211 - N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide
ChEBI ID CHEBI:124211
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H43N5O5S
Net Charge 0
Average Mass 561.739
Monoisotopic Mass 561.29849
InChI InChI=1S/C28H43N5O5S/c1-20-14-33(21(2)18-34)28(35)13-23-12-24(30-39(36,37)27-17-32(4)19-29-27)10-11-25(23)38-26(20)16-31(3)15-22-8-6-5-7-9-22/h10-12,17,19-22,26,30,34H,5-9,13-16,18H2,1-4H3/t20-,21+,26-/m0/s1
InChIKey ADGXMFNBEDKQBJ-UZINWLIJSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:124211) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35653 LINCS
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