CHEBI:111775 - N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide ChEBI ID CHEBI:111775 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H34N4O6S Net Charge 0 Average Mass 494.606 Monoisotopic Mass 494.21991 InChI InChI=1S/C23H34N4O6S/c1-14-11-27(15(2)13-28)23(29)18-9-8-10-19(25(5)6)21(18)32-20(14)12-26(7)34(30,31)22-16(3)24-33-17(22)4/h8-10,14-15,20,28H,11-13H2,1-7H3/t14-,15+,20+/m0/s1 InChIKey NGTZGERAXWJDKM-BXTJHSDWSA-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=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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide (CHEBI:111775) is a dialkylarylamine (CHEBI:23665) N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide (CHEBI:111775) is a tertiary amino compound (CHEBI:50996) Manual Xref Database LSM-23188 LINCS View more database links