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CHEBI:113592 - 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:113592
ChEBI Name1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC28H40N4O4
Net Charge0
Average Mass496.652
Monoisotopic Mass496.30496
SMILESCC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccccc1)O2
InChIInChI=1S/C28H40N4O4/c1-19(2)29-28(35)30-24-11-12-25-23(13-24)14-27(34)32(21(4)18-33)15-20(3)26(36-25)17-31(5)16-22-9-7-6-8-10-22/h6-13,19-21,26,33H,14-18H2,1-5H3,(H2,29,30,35)/t20-,21+,26+/m1/s1
InChIKeyZPQZMRPPCAYKJS-SWYRRKHMSA-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)
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:113592) is a aromatic amine (CHEBI:33860)
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