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CHEBI:108689 - N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:108689
ChEBI NameN-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-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
FormulaC30H42Cl2N4O4
Net Charge0
Average Mass593.596
Monoisotopic Mass592.25831
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCN(C)C)cc2CC1=O
InChIInChI=1S/C30H42Cl2N4O4/c1-20-16-36(21(2)19-37)30(39)15-23-14-24(33-29(38)7-6-12-34(3)4)9-11-27(23)40-28(20)18-35(5)17-22-8-10-25(31)26(32)13-22/h8-11,13-14,20-21,28,37H,6-7,12,15-19H2,1-5H3,(H,33,38)/t20-,21+,28+/m0/s1
InChIKeyVXWQLHDADGJUOT-BALWLHIASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide (CHEBI:108689) is a dichlorobenzene (CHEBI:23697)
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