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CHEBI:124792 - 1-[[(2S,3S)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-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:124792
ChEBI Name1-[[(2S,3S)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-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](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O
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+/m0/s1
InChIKeyZRCDNGSFFJIYNS-ASHZAFPQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-8-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea (CHEBI:124792) is a ureas (CHEBI:47857)
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