CHEBI:103735 - N-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide

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ChEBI Name N-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
ChEBI ID CHEBI:103735
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H33N3O5S2
Net Charge 0
Average Mass 495.658
Monoisotopic Mass 495.18616
InChI InChI=1S/C23H33N3O5S2/c1-16-13-26(17(2)15-27)22(28)12-18-11-19(24(3)4)8-9-20(18)31-21(16)14-25(5)33(29,30)23-7-6-10-32-23/h6-11,16-17,21,27H,12-15H2,1-5H3/t16-,17+,21-/m1/s1
InChIKey AXGDQZYYEHOPOR-LLGFUMIMSA-N
SMILES C[C@@H]1CN(C(=O)CC2=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-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:103735) is a dialkylarylamine (CHEBI:23665)
N-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:103735) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
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