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CHEBI:127380 - 1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:127380
ChEBI Name1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC35H46N4O4
Net Charge0
Average Mass586.777
Monoisotopic Mass586.35191
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C35H46N4O4/c1-24-20-39(25(2)23-40)34(41)19-28-18-29(36-35(42)37-31-15-9-13-27-12-7-8-14-30(27)31)16-17-32(28)43-33(24)22-38(3)21-26-10-5-4-6-11-26/h7-9,12-18,24-26,33,40H,4-6,10-11,19-23H2,1-3H3,(H2,36,37,42)/t24-,25+,33-/m1/s1
InChIKeyGFVUFKNBVACWEX-RNDKRWLGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea (CHEBI:127380) is a naphthalenes (CHEBI:25477)
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