CHEBI:98801 - LSM-10180

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ChEBI Name LSM-10180
ChEBI ID CHEBI:98801
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H39N3O4
Net Charge 0
Average Mass 481.628
Monoisotopic Mass 481.29406
InChI InChI=1S/C28H39N3O4/c1-20-16-31(21(2)18-32)28(34)25-13-9-8-12-24(25)23-11-7-6-10-22(23)19-35-26(20)17-30(5)27(33)14-15-29(3)4/h6-13,20-21,26,32H,14-19H2,1-5H3/t20-,21-,26-/m0/s1
InChIKey IEBNCDQMHLDDBS-WOVHNISZSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCN(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-10180 (CHEBI:98801) has functional parent β-amino acid (CHEBI:33706)
LSM-10180 (CHEBI:98801) is a organonitrogen compound (CHEBI:35352)
LSM-10180 (CHEBI:98801) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-10180 LINCS
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