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CHEBI:123730 - N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

ChEBI IDCHEBI:123730
ChEBI NameN-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
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DownloadsMolfile
FormulaC29H42N6O5
Net Charge0
Average Mass554.692
Monoisotopic Mass554.32167
SMILESCc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)C(=O)NC2CCCCC2)[C@H](C)CN([C@H](C)CO)C3=O)n(C)n1
InChIInChI=1S/C29H42N6O5/c1-18-15-35(20(3)17-36)28(38)22-12-9-13-23(31-27(37)24-14-19(2)32-34(24)5)26(22)40-25(18)16-33(4)29(39)30-21-10-7-6-8-11-21/h9,12-14,18,20-21,25,36H,6-8,10-11,15-17H2,1-5H3,(H,30,39)(H,31,37)/t18-,20-,25+/m1/s1
InChIKeyCNYPWWVGQUPDGP-BSWQBHCVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:123730) is a aromatic amide (CHEBI:62733)
N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:123730) is a heteroarene (CHEBI:33833)
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