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CHEBI:98638 - (2S,3S,3aR,9bR)-N1-cyclopentyl-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide

ChEBI IDCHEBI:98638
ChEBI Name(2S,3S,3aR,9bR)-N1-cyclopentyl-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide
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DownloadsMolfile
FormulaC26H32N6O4
Net Charge0
Average Mass492.580
Monoisotopic Mass492.24850
SMILESO=C(NCC1CC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]2N1C(=O)NC1CCCC1
InChIInChI=1S/C26H32N6O4/c33-13-20-19-12-31-21(8-7-18(25(31)35)16-10-27-14-28-11-16)22(19)32(26(36)30-17-3-1-2-4-17)23(20)24(34)29-9-15-5-6-15/h7-8,10-11,14-15,17,19-20,22-23,33H,1-6,9,12-13H2,(H,29,34)(H,30,36)/t19-,20-,22+,23-/m0/s1
InChIKeyKFSHNWDAJUKWQL-RLBLXZPPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-N1-cyclopentyl-N2-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide (CHEBI:98638) is a amino acid amide (CHEBI:22475)
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