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CHEBI:124712 - 1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

ChEBI IDCHEBI:124712
ChEBI Name1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
Stars
DownloadsMolfile
FormulaC31H39N5O7
Net Charge0
Average Mass593.681
Monoisotopic Mass593.28495
SMILESCc1noc(C)c1NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc3c(c1)OCO3)O2
InChIInChI=1S/C31H39N5O7/c1-18-13-36(19(2)16-37)29(38)12-23-11-24(32-31(39)33-30-20(3)34-43-21(30)4)7-9-25(23)42-28(18)15-35(5)14-22-6-8-26-27(10-22)41-17-40-26/h6-11,18-19,28,37H,12-17H2,1-5H3,(H2,32,33,39)/t18-,19-,28+/m0/s1
InChIKeyRHYKARALQRKCRK-RXEHIIAQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:124712) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-36154LINCS