CHEBI:124629 - N-[(2S,3R)-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]-2-thiophenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-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]-2-thiophenesulfonamide
ChEBI ID CHEBI:124629
Stars This entity has been manually annotated by a third party.
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Formula C28H41N3O5S2
Net Charge 0
Average Mass 563.775
Monoisotopic Mass 563.24876
InChI InChI=1S/C28H41N3O5S2/c1-20-16-31(21(2)19-32)27(33)15-23-14-24(29-38(34,35)28-10-7-13-37-28)11-12-25(23)36-26(20)18-30(3)17-22-8-5-4-6-9-22/h7,10-14,20-22,26,29,32H,4-6,8-9,15-19H2,1-3H3/t20-,21-,26-/m1/s1
InChIKey VFSZYRACWGUUJQ-IPVFLDMMSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O[C@@H]1CN(C)CC4CCCCC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-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]-2-thiophenesulfonamide (CHEBI:124629) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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