CHEBI:102377 - LSM-13728

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ChEBI Name LSM-13728
ChEBI ID CHEBI:102377
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H33N3O4
Net Charge 0
Average Mass 475.580
Monoisotopic Mass 475.24711
InChI InChI=1S/C28H33N3O4/c1-17(19-9-5-3-6-10-19)29-27(34)25-22(16-32)24-15-30-23(26(25)31(24)18(2)33)14-13-21(28(30)35)20-11-7-4-8-12-20/h3,5-6,9-11,13-14,17,22,24-26,32H,4,7-8,12,15-16H2,1-2H3,(H,29,34)/t17-,22-,24-,25+,26+/m1/s1
InChIKey GHJDVSDORYSUSR-DUVDYXJLSA-N
SMILES C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CCCCC5)[C@@H]2N3C(=O)C)CO
ChEBI Ontology
Outgoing LSM-13728 (CHEBI:102377) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-13728 LINCS
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