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CHEBI:41126 - (6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide

ChEBI IDCHEBI:41126
ChEBI Name(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide
Stars
ASCII Name(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H32N6O5S
Net Charge0
Average Mass492.602
Monoisotopic Mass492.21549
SMILES[H]O/N=C(\N([H])[H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])N([H])C(=O)[C@@]2([H])N3C(=O)C([H])([H])N(S(=O)(=O)C([H])([H])c4c([H])c([H])c([H])c([H])c4[H])C([H])([H])[C@]3([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C22H32N6O5S/c23-22(25-31)26-10-8-16(9-11-26)12-24-21(30)19-7-6-18-13-27(14-20(29)28(18)19)34(32,33)15-17-4-2-1-3-5-17/h1-5,16,18-19,31H,6-15H2,(H2,23,25)(H,24,30)/t18-,19-/m0/s1
InChIKeyDHTSUHWLPAEEQB-OALUTQOASA-N
ChEBI Ontology
Outgoing Relation(s)
(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CHEBI:41126) is a N-acylpiperidine (CHEBI:48591)
(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CHEBI:41126) is a guanidines (CHEBI:24436)
(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CHEBI:41126) is a monocarboxylic acid amide (CHEBI:29347)
(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CHEBI:41126) is a pyrrolopyrazine (CHEBI:48337)
(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide (CHEBI:41126) is a sulfonamide (CHEBI:35358)
Synonyms  Source
4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDEPDBeChem
(6S,8aS)-2-(benzylsulfonyl)-N-{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamidePDBeChem
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