CHEBI:129006 - LSM-40558

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ChEBI Name LSM-40558
ChEBI ID CHEBI:129006
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H35N3O5
Net Charge 0
Average Mass 505.606
Monoisotopic Mass 505.25767
InChI InChI=1S/C29H35N3O5/c1-31-19-27-26(35-3)12-10-23(37-27)13-14-36-25-11-9-20(17-30)15-24(25)29(34)32(2)18-22(16-28(31)33)21-7-5-4-6-8-21/h4-9,11,15,22-23,26-27H,10,12-14,16,18-19H2,1-3H3/t22-,23-,26-,27-/m1/s1
InChIKey CIRYYAWURCKBQH-FKDDUOCFSA-N
SMILES CN1C[C@@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N(C[C@@H](CC1=O)C4=CC=CC=C4)C)OC
ChEBI Ontology
Outgoing LSM-40558 (CHEBI:129006) is a azamacrocycle (CHEBI:52898)
LSM-40558 (CHEBI:129006) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-40558 LINCS
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