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CHEBI:124557 - 1-(1,3-benzodioxol-5-yl)-3-[(2R,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-10-yl]urea

ChEBI IDCHEBI:124557
ChEBI Name1-(1,3-benzodioxol-5-yl)-3-[(2R,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-10-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)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O
InChIInChI=1S/C30H35N5O6/c1-19-14-35(20(2)17-36)29(37)23-5-4-6-24(33-30(38)32-22-7-8-25-26(13-22)40-18-39-25)28(23)41-27(19)16-34(3)15-21-9-11-31-12-10-21/h4-13,19-20,27,36H,14-18H2,1-3H3,(H2,32,33,38)/t19-,20+,27-/m0/s1
InChIKeyNCLMVBXMEZWKRK-VKIDHGPPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-3-[(2R,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-10-yl]urea (CHEBI:124557) is a benzodioxoles (CHEBI:38298)
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