CHEBI:119571 - N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide

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ChEBI Name N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide ChEBI ID CHEBI:119571 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H36BrN3O5S Net Charge 0 Average Mass 546.520 Monoisotopic Mass 545.15590 InChI InChI=1S/C23H36BrN3O5S/c1-17-14-27(18(2)16-28)33(30,31)22-8-7-19(24)13-20(22)32-21(17)15-25(3)23(29)9-12-26-10-5-4-6-11-26/h7-8,13,17-18,21,28H,4-6,9-12,14-16H2,1-3H3/t17-,18-,21+/m0/s1 InChIKey QFNUSQGYMOISEO-BBTUJRGHSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@@H]1CN(C)C(=O)CCN3CCCCC3)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide (CHEBI:119571) has functional parent β-amino acid (CHEBI:33706) N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide (CHEBI:119571) is a organonitrogen compound (CHEBI:35352) N-[[(4S,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-(1-piperidinyl)propanamide (CHEBI:119571) is a organooxygen compound (CHEBI:36963) Manual Xref Database LSM-31018 LINCS View more database links