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CHEBI:103733 - 3-cyclohexyl-1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea

ChEBI IDCHEBI:103733
ChEBI Name3-cyclohexyl-1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea
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DownloadsMolfile
FormulaC26H42N4O4
Net Charge0
Average Mass474.646
Monoisotopic Mass474.32061
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C26H42N4O4/c1-18-15-30(19(2)17-31)25(32)14-20-13-22(28(3)4)11-12-23(20)34-24(18)16-29(5)26(33)27-21-9-7-6-8-10-21/h11-13,18-19,21,24,31H,6-10,14-17H2,1-5H3,(H,27,33)/t18-,19+,24-/m1/s1
InChIKeyNUQLUNTVVQHOLK-YDIMBITNSA-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)
3-cyclohexyl-1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea (CHEBI:103733) is a dialkylarylamine (CHEBI:23665)
3-cyclohexyl-1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea (CHEBI:103733) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
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