CHEBI:102380 - LSM-13731

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ChEBI Name LSM-13731
ChEBI ID CHEBI:102380
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H33N3O5
Net Charge 0
Average Mass 479.569
Monoisotopic Mass 479.24202
InChI InChI=1S/C27H33N3O5/c1-35-19-10-5-7-17(13-19)14-28-26(33)24-20(16-31)22-15-29-21(11-6-12-23(29)32)25(24)30(22)27(34)18-8-3-2-4-9-18/h5-7,10-13,18,20,22,24-25,31H,2-4,8-9,14-16H2,1H3,(H,28,33)/t20-,22-,24+,25+/m1/s1
InChIKey PNHDRDYFFADBCF-KAKDDGLXSA-N
SMILES COC1=CC=CC(=C1)CNC(=O)[C@H]2[C@@H]([C@H]3CN4C(=O)C=CC=C4[C@@H]2N3C(=O)C5CCCCC5)CO
ChEBI Ontology
Outgoing LSM-13731 (CHEBI:102380) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-13731 LINCS
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