CHEBI:124588 - N-[(2R,3S)-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]benzenesulfonamide

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ChEBI Name N-[(2R,3S)-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]benzenesulfonamide
ChEBI ID CHEBI:124588
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H35Cl2N3O5S
Net Charge 0
Average Mass 620.589
Monoisotopic Mass 619.16745
InChI InChI=1S/C30H35Cl2N3O5S/c1-20-16-35(21(2)19-36)30(37)15-23-14-24(33-41(38,39)25-7-5-4-6-8-25)10-12-28(23)40-29(20)18-34(3)17-22-9-11-26(31)27(32)13-22/h4-14,20-21,29,33,36H,15-19H2,1-3H3/t20-,21-,29-/m0/s1
InChIKey CBQVGICLIDWTFD-WURXVLGASA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@H]1CN(C)CC4=CC(=C(C=C4)Cl)Cl)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-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]benzenesulfonamide (CHEBI:124588) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36030 LINCS
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