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CHEBI:130200 - 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:130200
ChEBI Name1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea
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FormulaC20H32N4O4
Net Charge0
Average Mass392.500
Monoisotopic Mass392.24236
SMILESCNC[C@H]1Oc2c(NC(=O)NC(C)C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C20H32N4O4/c1-12(2)22-20(27)23-16-8-6-7-15-18(16)28-17(9-21-5)13(3)10-24(19(15)26)14(4)11-25/h6-8,12-14,17,21,25H,9-11H2,1-5H3,(H2,22,23,27)/t13-,14-,17-/m1/s1
InChIKeyIJNNGEYJEFGHTL-CKEIUWERSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea (CHEBI:130200) is a aromatic ether (CHEBI:35618)
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