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CHEBI:113590 - 1-[[(2S,3S)-9-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:113590
ChEBI Name1-[[(2S,3S)-9-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC32H45N5O6
Net Charge0
Average Mass595.741
Monoisotopic Mass595.33698
SMILESCOc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(NC(=O)NC4CCCCC4)cc3CC(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C32H45N5O6/c1-21-18-37(22(2)20-38)30(39)17-23-16-26(34-31(40)33-24-8-6-5-7-9-24)12-15-28(23)43-29(21)19-36(3)32(41)35-25-10-13-27(42-4)14-11-25/h10-16,21-22,24,29,38H,5-9,17-20H2,1-4H3,(H,35,41)(H2,33,34,40)/t21-,22+,29+/m0/s1
InChIKeySMGQOPDVSHJVMI-DKGMKSHISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-9-[[(cyclohexylamino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:113590) is a ureas (CHEBI:47857)
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