CHEBI:101879 - LSM-13240

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ChEBI Name LSM-13240
ChEBI ID CHEBI:101879
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H46N4O4
Net Charge 0
Average Mass 610.787
Monoisotopic Mass 610.35191
InChI InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32+,33+/m1/s1
InChIKey UJZHWGMAKJZUOC-CJTKCQPWSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](CC4=CC=CC=C4)N(C)C)C5=CC=CC=C5N2C)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-13240 (CHEBI:101879) is a phenylalanine derivative (CHEBI:25985)
Manual Xref Database
LSM-13240 LINCS
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