CHEBI:124289 - N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide

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ChEBI Name N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
ChEBI ID CHEBI:124289
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H31N3O5S2
Net Charge 0
Average Mass 481.632
Monoisotopic Mass 481.17051
InChI InChI=1S/C22H31N3O5S2/c1-15-12-25(16(2)14-26)22(27)18-11-17(23(3)4)8-9-19(18)30-20(15)13-24(5)32(28,29)21-7-6-10-31-21/h6-11,15-16,20,26H,12-14H2,1-5H3/t15-,16-,20+/m1/s1
InChIKey CETUQOSYEZIMNW-QINHECLXSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)S(=O)(=O)C3=CC=CS3)[C@H](C)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:124289) is a dialkylarylamine (CHEBI:23665)
N-[[(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:124289) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-35731 LINCS
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