CHEBI:113754 - 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

ChEBI IDCHEBI:113754
ChEBI Name3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
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FormulaC34H36FN5O5
Net Charge0
Average Mass613.690
Monoisotopic Mass613.27005
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C34H36FN5O5/c1-21-18-40(22(2)20-41)32(42)27-11-7-13-29(38-33(43)37-28-12-6-9-23-8-4-5-10-26(23)28)31(27)45-30(21)19-39(3)34(44)36-25-16-14-24(35)15-17-25/h4-17,21-22,30,41H,18-20H2,1-3H3,(H,36,44)(H2,37,38,43)/t21-,22+,30+/m1/s1
InChIKeyINJMWLLCIWTMDU-DGIFUFQNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:113754) is a naphthalenes (CHEBI:25477)
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LSM-25186LINCS