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CHEBI:113759 - 1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea

ChEBI IDCHEBI:113759
ChEBI Name1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea
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DownloadsMolfile
FormulaC27H39N5O5
Net Charge0
Average Mass513.639
Monoisotopic Mass513.29512
SMILESCc1noc(C)c1NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC1CC1)O2
InChIInChI=1S/C27H39N5O5/c1-16-12-32(17(2)15-33)25(34)11-21-10-22(28-27(35)29-26-18(3)30-37-19(26)4)8-9-23(21)36-24(16)14-31(5)13-20-6-7-20/h8-10,16-17,20,24,33H,6-7,11-15H2,1-5H3,(H2,28,29,35)/t16-,17+,24+/m1/s1
InChIKeyRRKRQZMEMKUNGW-KCYKTTMJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:113759) is a aromatic ether (CHEBI:35618)
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