CHEBI:127017 - N-[[(4S,5R)-8-(1-cyclopentenyl)-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-2-pyridin-4-ylacetamide

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ChEBI Name N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide ChEBI ID CHEBI:127017 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H35N3O5S Net Charge 0 Average Mass 513.651 Monoisotopic Mass 513.22974 InChI InChI=1S/C27H35N3O5S/c1-19-16-30(20(2)18-31)36(33,34)26-9-8-23(22-6-4-5-7-22)15-24(26)35-25(19)17-29(3)27(32)14-21-10-12-28-13-11-21/h6,8-13,15,19-20,25,31H,4-5,7,14,16-18H2,1-3H3/t19-,20-,25-/m0/s1 InChIKey ZXOCSHLRVHMIRD-RLSLOFABSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)C(=O)CC4=CC=NC=C4)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide (CHEBI:127017) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-38580 LINCS View more database links