CHEBI:106187 - 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-pyrazinecarboxamide

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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$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide ChEBI ID CHEBI:106187 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H32N4O5S Net Charge 0 Average Mass 500.612 Monoisotopic Mass 500.20934 InChI InChI=1S/C25H32N4O5S/c1-17-14-29(18(2)16-30)35(32,33)24-9-8-20(19-6-4-5-7-19)12-22(24)34-23(17)15-28(3)25(31)21-13-26-10-11-27-21/h6,8-13,17-18,23,30H,4-5,7,14-16H2,1-3H3/t17-,18-,23-/m0/s1 InChIKey KDJJTCSMQRMMRL-BSRJHKFKSA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)C(=O)C4=NC=CN=C4)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide (CHEBI:106187) is a pyrazines (CHEBI:38314) 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-pyrazinecarboxamide (CHEBI:106187) is a tertiary carboxamide (CHEBI:140326) Manual Xref Database LSM-17548 LINCS View more database links Last Modified 07 March 2018