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CHEBI:124407 - 4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

ChEBI IDCHEBI:124407
ChEBI Name4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
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FormulaC29H43N5O4
Net Charge0
Average Mass525.694
Monoisotopic Mass525.33150
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C29H43N5O4/c1-21-17-34(22(2)20-35)29(37)16-24-15-25(31-28(36)7-6-14-32(3)4)8-9-26(24)38-27(21)19-33(5)18-23-10-12-30-13-11-23/h8-13,15,21-22,27,35H,6-7,14,16-20H2,1-5H3,(H,31,36)/t21-,22+,27+/m1/s1
InChIKeyBKMUEFYULUJJDU-VHSZZVNMSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:124407) is a aromatic amide (CHEBI:62733)
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