CHEBI:123735 - N-[[(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

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ChEBI Name N-[[(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide
ChEBI ID CHEBI:123735
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H36N4O6S
Net Charge 0
Average Mass 508.633
Monoisotopic Mass 508.23556
InChI InChI=1S/C24H36N4O6S/c1-15-12-28(16(2)14-29)23(30)11-19-10-20(26(5)6)8-9-21(19)33-22(15)13-27(7)35(31,32)24-17(3)25-34-18(24)4/h8-10,15-16,22,29H,11-14H2,1-7H3/t15-,16-,22+/m1/s1
InChIKey VPKXPFIHFFRAMM-MCFFVMPBSA-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=C(ON=C3C)C)[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)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide (CHEBI:123735) is a dialkylarylamine (CHEBI:23665)
N-[[(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide (CHEBI:123735) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-35177 LINCS
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