CHEBI:108662 - N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-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,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-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:108662
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H35Cl2N5O5S
Net Charge 0
Average Mass 624.581
Monoisotopic Mass 623.17360
InChI InChI=1S/C28H35Cl2N5O5S/c1-18-12-35(19(2)16-36)28(37)11-21-10-22(32-41(38,39)27-15-34(4)17-31-27)6-8-25(21)40-26(18)14-33(3)13-20-5-7-23(29)24(30)9-20/h5-10,15,17-19,26,32,36H,11-14,16H2,1-4H3/t18-,19+,26+/m1/s1
InChIKey VWQPHETXZDMYNJ-MVYHEMRASA-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)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:108662) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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