CHEBI:100606 - LSM-11980

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-11980
ChEBI ID CHEBI:100606
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H29N5O5S
Net Charge 0
Average Mass 487.574
Monoisotopic Mass 487.18894
InChI InChI=1S/C23H29N5O5S/c1-25(2)23(31)20-16(12-29)18-10-27-17(9-8-15(22(27)30)14-6-4-5-7-14)21(20)28(18)34(32,33)19-11-26(3)13-24-19/h6,8-9,11,13,16,18,20-21,29H,4-5,7,10,12H2,1-3H3/t16-,18-,20+,21+/m1/s1
InChIKey WKQWAKOEERQJQB-LMQGHGSNSA-N
SMILES CN1C=C(N=C1)S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CCCC5)[C@H]2[C@H]([C@@H]3CO)C(=O)N(C)C
ChEBI Ontology
Outgoing LSM-11980 (CHEBI:100606) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-11980 LINCS
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