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CHEBI:126712 - 1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

ChEBI IDCHEBI:126712
ChEBI Name1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
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DownloadsMolfile
FormulaC30H35N5O6
Net Charge0
Average Mass561.639
Monoisotopic Mass561.25873
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O
InChIInChI=1S/C30H35N5O6/c1-19-14-35(20(2)17-36)29(37)24-12-22(32-30(38)33-23-5-7-26-27(13-23)40-18-39-26)4-6-25(24)41-28(19)16-34(3)15-21-8-10-31-11-9-21/h4-13,19-20,28,36H,14-18H2,1-3H3,(H2,32,33,38)/t19-,20+,28+/m0/s1
InChIKeyRPGIBJKWWMWOCH-TWUWCHPWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:126712) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-38275LINCS