CHEBI:101598 - LSM-12961

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12961
ChEBI ID CHEBI:101598
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H34N4O5S
Net Charge 0
Average Mass 490.618
Monoisotopic Mass 490.22499
InChI InChI=1S/C24H34N4O5S/c1-25-10-12-26(13-11-25)24(31)21-18(15-29)20-14-27-19(22(21)28(20)34(2,32)33)9-8-17(23(27)30)16-6-4-3-5-7-16/h6,8-9,18,20-22,29H,3-5,7,10-15H2,1-2H3/t18-,20-,21+,22+/m1/s1
InChIKey NRVZDTJJXPAHOA-YJMBLLCNSA-N
SMILES CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@@H]2N3S(=O)(=O)C)CO
ChEBI Ontology
Outgoing LSM-12961 (CHEBI:101598) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-12961 LINCS
View more database links