CHEBI:101080 - LSM-12452

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ChEBI Name LSM-12452
ChEBI ID CHEBI:101080
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H39N3O4
Net Charge 0
Average Mass 529.671
Monoisotopic Mass 529.29406
InChI InChI=1S/C32H39N3O4/c1-22-18-35(23(2)20-36)31(37)29-17-11-10-16-28(29)27-15-9-8-14-26(27)21-39-30(22)19-34(4)32(38)33-24(3)25-12-6-5-7-13-25/h5-17,22-24,30,36H,18-21H2,1-4H3,(H,33,38)/t22-,23-,24-,30-/m1/s1
InChIKey VBARFQGDBKSOKL-NULUGNBJSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)N[C@H](C)C4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-12452 (CHEBI:101080) is a benzenes (CHEBI:22712)
Manual Xref Database
LSM-12452 LINCS
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