CHEBI:100442 - LSM-11817

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ChEBI Name LSM-11817
ChEBI ID CHEBI:100442
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H42N4O4
Net Charge 0
Average Mass 546.701
Monoisotopic Mass 546.32061
InChI InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27-,28-/m0/s1
InChIKey QNPXTRYBNJAKIP-DEQMQSMYSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-11817 (CHEBI:100442) is a proline derivative (CHEBI:26273)
Manual Xref Database
LSM-11817 LINCS
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