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CHEBI:113696 - N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:113696
ChEBI NameN-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide
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DownloadsMolfile
FormulaC30H50N4O4
Net Charge0
Average Mass530.754
Monoisotopic Mass530.38321
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C30H50N4O4/c1-22-18-34(23(2)21-35)30(37)17-25-16-26(31-29(36)12-9-15-32(3)4)13-14-27(25)38-28(22)20-33(5)19-24-10-7-6-8-11-24/h13-14,16,22-24,28,35H,6-12,15,17-21H2,1-5H3,(H,31,36)/t22-,23+,28+/m1/s1
InChIKeyXTYMFXBEGHIJAG-IWHLBADBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide (CHEBI:113696) is a aromatic amide (CHEBI:62733)
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