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CHEBI:125211 - (3S,6S,7R,8aR)-6-(4-hydroxyphenyl)-N-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

ChEBI IDCHEBI:125211
ChEBI Name(3S,6S,7R,8aR)-6-(4-hydroxyphenyl)-N-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
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DownloadsMolfile
FormulaC25H36N4O5S
Net Charge0
Average Mass504.653
Monoisotopic Mass504.24064
SMILESCC(C)C[C@@H]1NC(=O)[C@H]2C[C@@H](C(=O)NCCCCCNC(=O)CS)[C@@H](c3ccc(O)cc3)N2C1=O
InChIInChI=1S/C25H36N4O5S/c1-15(2)12-19-25(34)29-20(24(33)28-19)13-18(22(29)16-6-8-17(30)9-7-16)23(32)27-11-5-3-4-10-26-21(31)14-35/h6-9,15,18-20,22,30,35H,3-5,10-14H2,1-2H3,(H,26,31)(H,27,32)(H,28,33)/t18-,19+,20-,22-/m1/s1
InChIKeyWIQGOFAGXARMCY-XAPVIXHLSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,6S,7R,8aR)-6-(4-hydroxyphenyl)-N-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (CHEBI:125211) is a pyrrolidines (CHEBI:38260)
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