CHEBI:127733 - 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-methyl-3-propan-2-ylurea

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ChEBI Name 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-methyl-3-propan-2-ylurea
ChEBI ID CHEBI:127733
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H38N4O4
Net Charge 0
Average Mass 434.573
Monoisotopic Mass 434.28931
InChI InChI=1S/C23H38N4O4/c1-15(2)24-23(30)26(7)13-21-16(3)12-27(17(4)14-28)22(29)11-18-10-19(25(5)6)8-9-20(18)31-21/h8-10,15-17,21,28H,11-14H2,1-7H3,(H,24,30)/t16-,17+,21-/m1/s1
InChIKey RCIJUMNSSGEJFF-LLGFUMIMSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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-methyl-3-propan-2-ylurea (CHEBI:127733) is a dialkylarylamine (CHEBI:23665)
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-methyl-3-propan-2-ylurea (CHEBI:127733) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-39290 LINCS
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