CHEBI:124552 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

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ChEBI Name N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
ChEBI ID CHEBI:124552
Stars This entity has been manually annotated by a third party.
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Formula C35H41N5O5
Net Charge 0
Average Mass 611.732
Monoisotopic Mass 611.31077
InChI InChI=1S/C35H41N5O5/c1-23-19-40(25(3)22-41)35(43)29-12-9-13-30(36-34(42)31-18-24(2)37-39(31)5)33(29)45-32(23)21-38(4)20-26-14-16-28(17-15-26)44-27-10-7-6-8-11-27/h6-18,23,25,32,41H,19-22H2,1-5H3,(H,36,42)/t23-,25-,32+/m0/s1
InChIKey UFJFLQUSVAOZJI-WRPSWDPCSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@@H]1CN(C)CC4=CC=C(C=C4)OC5=CC=CC=C5)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:124552) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-35994 LINCS
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