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CHEBI:124450 - 1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

ChEBI IDCHEBI:124450
ChEBI Name1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
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DownloadsMolfile
FormulaC30H37N5O4
Net Charge0
Average Mass531.657
Monoisotopic Mass531.28455
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C30H37N5O4/c1-21-17-35(22(2)20-36)29(37)16-24-15-26(33-30(38)32-25-7-5-4-6-8-25)9-10-27(24)39-28(21)19-34(3)18-23-11-13-31-14-12-23/h4-15,21-22,28,36H,16-20H2,1-3H3,(H2,32,33,38)/t21-,22-,28+/m0/s1
InChIKeyGKNVWIZUYOTGAW-RXYILKCJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea (CHEBI:124450) is a ureas (CHEBI:47857)
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