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CHEBI:130613 - N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:130613
ChEBI NameN-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
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DownloadsMolfile
FormulaC29H47N5O5
Net Charge0
Average Mass545.725
Monoisotopic Mass545.35772
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C29H47N5O5/c1-20-17-34(21(2)19-35)28(37)24-16-23(30-27(36)12-9-15-32(3)4)13-14-25(24)39-26(20)18-33(5)29(38)31-22-10-7-6-8-11-22/h13-14,16,20-22,26,35H,6-12,15,17-19H2,1-5H3,(H,30,36)(H,31,38)/t20-,21-,26+/m0/s1
InChIKeyHVZAAXCGJPPTNA-ISJBWFOZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:130613) is a aromatic amide (CHEBI:62733)
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