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CHEBI:111606 - N-[(2S,3R)-5-[(2R)-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-oxanecarboxamide

ChEBI IDCHEBI:111606
ChEBI NameN-[(2S,3R)-5-[(2R)-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-oxanecarboxamide
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DownloadsMolfile
FormulaC33H40N4O6
Net Charge0
Average Mass588.705
Monoisotopic Mass588.29479
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)C3CCOCC3)c2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C33H40N4O6/c1-21-18-37(22(2)20-38)32(40)26-11-7-13-28(34-31(39)24-14-16-42-17-15-24)30(26)43-29(21)19-36(3)33(41)35-27-12-6-9-23-8-4-5-10-25(23)27/h4-13,21-22,24,29,38H,14-20H2,1-3H3,(H,34,39)(H,35,41)/t21-,22-,29-/m1/s1
InChIKeyXPBUGQRVLIPCFW-IEOSBIPESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-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-oxanecarboxamide (CHEBI:111606) is a naphthalenes (CHEBI:25477)
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