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CHEBI:126444 - 1-[[(2R,3S)-10-[[(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-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:126444
ChEBI Name1-[[(2R,3S)-10-[[(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-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC31H43N5O6
Net Charge0
Average Mass581.714
Monoisotopic Mass581.32133
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C31H43N5O6/c1-20-17-36(21(2)19-37)29(38)25-11-8-12-26(34-30(39)32-22-9-6-5-7-10-22)28(25)42-27(20)18-35(3)31(40)33-23-13-15-24(41-4)16-14-23/h8,11-16,20-22,27,37H,5-7,9-10,17-19H2,1-4H3,(H,33,40)(H2,32,34,39)/t20-,21+,27-/m0/s1
InChIKeySWAMQWMVKYBBNH-ISCCLHIJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3S)-10-[[(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-methoxyphenyl)-1-methylurea (CHEBI:126444) is a ureas (CHEBI:47857)
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