CHEBI:129383 - 1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

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ChEBI Name 1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
ChEBI ID CHEBI:129383
Stars This entity has been manually annotated by a third party.
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Formula C22H36N4O4
Net Charge 0
Average Mass 420.546
Monoisotopic Mass 420.27366
InChI InChI=1S/C22H36N4O4/c1-14(2)23-22(29)24-18-7-8-19-17(9-18)10-21(28)26(16(4)13-27)11-15(3)20(30-19)12-25(5)6/h7-9,14-16,20,27H,10-13H2,1-6H3,(H2,23,24,29)/t15-,16-,20+/m0/s1
InChIKey VNWGQZGENSFMNJ-TWOQFEAHSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:129383) is a aromatic ether (CHEBI:35618)
Manual Xref Database
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