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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
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Accession:CHEBI:126797 term browser browse the term
Definition:A biphenyl that has formula C35H38N4O4.
Synonyms:related_synonym: Formula=C35H38N4O4;   InChI=1S/C35H38N4O4/c1-24-20-39(25(2)23-40)35(42)31-19-30(37-34(41)29-15-17-36-18-16-29)13-14-32(31)43-33(24)22-38(3)21-26-9-11-28(12-10-26)27-7-5-4-6-8-27/h4-19,24-25,33,40H,20-23H2,1-3H3,(H,37,41)/t24-,25-,33-/m0/s1;   InChIKey=HPXQJKADXJMKNX-TZNXZYKKSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@@H](C)CO
 xref: LINCS:LSM-38360



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            cyclic compound 0
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                biphenyls 0
                  N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide 0
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  CHEBI ontology 0
    subatomic particle 0
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              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
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                                  benzenoid aromatic compound 0
                                    biphenyls 0
                                      N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide 0
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