CHEBI:110146 - N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide ChEBI ID CHEBI:110146 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H37N3O5S Net Charge 0 Average Mass 527.678 Monoisotopic Mass 527.24539 InChI InChI=1S/C28H37N3O5S/c1-20(2)8-6-9-23-11-12-27-25(14-23)36-26(21(3)17-31(22(4)19-32)37(27,34)35)18-30(5)28(33)15-24-10-7-13-29-16-24/h7,10-14,16,20-22,26,32H,8,15,17-19H2,1-5H3/t21-,22+,26-/m1/s1 InChIKey HNBFIRYNWWOTHM-TVZXLZGTSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC(C)C)O[C@@H]1CN(C)C(=O)CC3=CN=CC=C3)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide (CHEBI:110146) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-21573 LINCS View more database links