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CHEBI:94197 - 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:94197
ChEBI Name1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC35H40N4O7S
Net Charge0
Average Mass660.793
Monoisotopic Mass660.26177
SMILESCOc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5ccccc45)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1C
InChIInChI=1S/C35H40N4O7S/c1-22-18-26(16-17-31(22)45-5)47(43,44)38(4)20-32-23(2)19-39(24(3)21-40)34(41)28-13-9-15-30(33(28)46-32)37-35(42)36-29-14-8-11-25-10-6-7-12-27(25)29/h6-18,23-24,32,40H,19-21H2,1-5H3,(H2,36,37,42)/t23-,24+,32+/m1/s1
InChIKeyAPTVJNKPZZAJMD-FXZPAHAQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea (CHEBI:94197) is a naphthalenes (CHEBI:25477)
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