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CHEBI:131263 - 1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:131263
ChEBI Name1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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DownloadsMolfile
FormulaC22H36N4O4
Net Charge0
Average Mass420.554
Monoisotopic Mass420.27366
SMILESCC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C22H36N4O4/c1-14(2)23-22(29)25(7)12-20-15(3)11-26(16(4)13-27)21(28)18-10-17(24(5)6)8-9-19(18)30-20/h8-10,14-16,20,27H,11-13H2,1-7H3,(H,23,29)/t15-,16-,20-/m0/s1
InChIKeyGIKJWVQVMSIYNX-FTRWYGJKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:131263) is a dialkylarylamine (CHEBI:23665)
1-[[(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:131263) is a tertiary amino compound (CHEBI:50996)
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