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CHEBI:124894 - 1-[[(2R,3R)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

ChEBI IDCHEBI:124894
ChEBI Name1-[[(2R,3R)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
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DownloadsMolfile
FormulaC30H40FN5O5
Net Charge0
Average Mass569.678
Monoisotopic Mass569.30135
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C30H40FN5O5/c1-19-16-36(20(2)18-37)28(38)25-15-24(33-29(39)32-22-7-5-4-6-8-22)13-14-26(25)41-27(19)17-35(3)30(40)34-23-11-9-21(31)10-12-23/h9-15,19-20,22,27,37H,4-8,16-18H2,1-3H3,(H,34,40)(H2,32,33,39)/t19-,20+,27+/m1/s1
InChIKeyZRCDNGSFFJIYNS-JVAFGIKQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea (CHEBI:124894) is a ureas (CHEBI:47857)
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