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CHEBI:125978 - N'-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

ChEBI IDCHEBI:125978
ChEBI NameN'-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide
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DownloadsMolfile
FormulaC42H51N5O6
Net Charge0
Average Mass721.899
Monoisotopic Mass721.38393
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C42H51N5O6/c1-29-25-47(30(2)28-48)42(51)35-24-32(44-40(49)16-8-5-9-17-41(50)45-37-15-11-10-14-36(37)43)20-23-38(35)53-39(29)27-46(3)26-31-18-21-34(22-19-31)52-33-12-6-4-7-13-33/h4,6-7,10-15,18-24,29-30,39,48H,5,8-9,16-17,25-28,43H2,1-3H3,(H,44,49)(H,45,50)/t29-,30-,39-/m0/s1
InChIKeyOZGUWOVUTOMERU-MSVYEENVSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:125978) is a aromatic ether (CHEBI:35618)
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