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CHEBI:130702 - 4-[[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid

ChEBI IDCHEBI:130702
ChEBI Name4-[[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
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DownloadsMolfile
FormulaC32H37N3O6
Net Charge0
Average Mass559.663
Monoisotopic Mass559.26824
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C32H37N3O6/c1-21-17-35(22(2)20-36)31(38)27-16-26(33-30(37)15-23-7-5-4-6-8-23)13-14-28(27)41-29(21)19-34(3)18-24-9-11-25(12-10-24)32(39)40/h4-14,16,21-22,29,36H,15,17-20H2,1-3H3,(H,33,37)(H,39,40)/t21-,22-,29+/m0/s1
InChIKeyNFIXFXCEHGPRBV-IHMCZWCLSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:130702) is a acetamides (CHEBI:22160)
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