CHEBI:102052 - LSM-13412

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13412
ChEBI ID CHEBI:102052
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H29N3O5
Net Charge 0
Average Mass 415.484
Monoisotopic Mass 415.21072
InChI InChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18+,19+/m0/s1
InChIKey LYYREMJMDQKNES-IAAVTCLWSA-N
SMILES C[C@H]1C(=O)N(C[C@@H]2[C@@H](CC[C@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C
ChEBI Ontology
Outgoing LSM-13412 (CHEBI:102052) is a azamacrocycle (CHEBI:52898)
LSM-13412 (CHEBI:102052) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-13412 LINCS
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