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CHEBI:94951 - 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea

ChEBI IDCHEBI:94951
ChEBI Name1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
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DownloadsMolfile
FormulaC32H39N5O6
Net Charge0
Average Mass589.693
Monoisotopic Mass589.29003
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)O3)cc1
InChIInChI=1S/C32H39N5O6/c1-21-18-37(22(2)20-38)30(39)17-23-16-26(34-31(40)33-25-10-13-27(42-4)14-11-25)12-15-28(23)43-29(21)19-36(3)32(41)35-24-8-6-5-7-9-24/h5-16,21-22,29,38H,17-20H2,1-4H3,(H,35,41)(H2,33,34,40)/t21-,22+,29+/m1/s1
InChIKeyNBMYFHNRSCNDIP-BXOOBUKZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea (CHEBI:94951) is a ureas (CHEBI:47857)
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