CHEBI:103298 - LSM-14642

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ChEBI Name LSM-14642
ChEBI ID CHEBI:103298
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/c1-3-5-14-8-9-17-21-20(22(30)25-15-6-4-7-15)16(12-29)18(10-27(17)23(14)31)28(21)34(32,33)19-11-26(2)13-24-19/h3,5,8-9,11,13,15-16,18,20-21,29H,4,6-7,10,12H2,1-2H3,(H,25,30)/t16-,18-,20+,21+/m0/s1
InChIKey FBXKHEMXYYDERF-XIGKFDRGSA-N
SMILES CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3S(=O)(=O)C4=CN(C=N4)C)CN2C1=O)CO)C(=O)NC5CCC5
ChEBI Ontology
Outgoing LSM-14642 (CHEBI:103298) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-14642 LINCS
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