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CHEBI:108649 - (2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

ChEBI IDCHEBI:108649
ChEBI Name(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
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FormulaC23H37N3O3
Net Charge0
Average Mass403.567
Monoisotopic Mass403.28349
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)Oc2ccc(N(C)C)cc2CC1=O
InChIInChI=1S/C23H37N3O3/c1-16-12-26(17(2)15-27)23(28)11-19-10-20(24(3)4)8-9-21(19)29-22(16)14-25(5)13-18-6-7-18/h8-10,16-18,22,27H,6-7,11-15H2,1-5H3/t16-,17+,22+/m0/s1
InChIKeyDVEIBRZUURAMSY-GSHUGGBRSA-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)
(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108649) is a dialkylarylamine (CHEBI:23665)
(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108649) is a tertiary amino compound (CHEBI:50996)
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