CHEBI:100298 - (2R,3R,3aS,9bS)-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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ChEBI Name (2R,3R,3aS,9bS)-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 ID CHEBI:100298
Stars This entity has been manually annotated by a third party.
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Formula C26H32N6O4
Net Charge 0
Average Mass 492.571
Monoisotopic Mass 492.24850
InChI InChI=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-/m1/s1
InChIKey KFSHNWDAJUKWQL-YXPKMTABSA-N
SMILES C1CCC(C1)NC(=O)N2[C@H]3[C@H](CN4C3=CC=C(C4=O)C5=CN=CN=C5)[C@H]([C@@H]2C(=O)NCC6CC6)CO
ChEBI Ontology
Outgoing (2R,3R,3aS,9bS)-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:100298) is a amino acid amide (CHEBI:22475)
Manual Xref Database
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