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CHEBI:124063 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:124063
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC31H43N3O7S
Net Charge0
Average Mass601.766
Monoisotopic Mass601.28217
SMILESCOc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc(NC(=O)C4CCCCC4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C31H43N3O7S/c1-21-18-34(22(2)20-35)30(36)17-24-16-25(32-31(37)23-8-6-5-7-9-23)10-15-28(24)41-29(21)19-33(3)42(38,39)27-13-11-26(40-4)12-14-27/h10-16,21-23,29,35H,5-9,17-20H2,1-4H3,(H,32,37)/t21-,22-,29-/m1/s1
InChIKeyHMOIQSJYWSUWIU-IEOSBIPESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide (CHEBI:124063) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35505LINCS