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CHEBI:94863 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide

ChEBI IDCHEBI:94863
ChEBI NameN-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide
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DownloadsMolfile
FormulaC37H37N5O5S
Net Charge0
Average Mass663.800
Monoisotopic Mass663.25154
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C37H37N5O5S/c1-23-20-42(24(2)22-43)36(45)29-11-7-13-31(39-34(44)26-14-16-27(17-15-26)35-38-18-19-48-35)33(29)47-32(23)21-41(3)37(46)40-30-12-6-9-25-8-4-5-10-28(25)30/h4-19,23-24,32,43H,20-22H2,1-3H3,(H,39,44)(H,40,46)/t23-,24+,32-/m1/s1
InChIKeyVNFHSOCFCOJQAS-MKVNITDJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-(2-thiazolyl)benzamide (CHEBI:94863) is a naphthalenes (CHEBI:25477)
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