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CHEBI:130358 - N-(2-aminophenyl)-N'-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide

ChEBI IDCHEBI:130358
ChEBI NameN-(2-aminophenyl)-N'-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide
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DownloadsMolfile
FormulaC42H51N5O5
Net Charge0
Average Mass705.900
Monoisotopic Mass705.38902
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O
InChIInChI=1S/C42H51N5O5/c1-29-25-47(30(2)28-48)42(51)34-15-12-18-37(45-40(50)20-9-5-8-19-39(49)44-36-17-11-10-16-35(36)43)41(34)52-38(29)27-46(3)26-31-21-23-33(24-22-31)32-13-6-4-7-14-32/h4,6-7,10-18,21-24,29-30,38,48H,5,8-9,19-20,25-28,43H2,1-3H3,(H,44,49)(H,45,50)/t29-,30+,38+/m0/s1
InChIKeyNKYSZIASVRRVQA-FCUWZOGCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-N'-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:130358) is a biphenyls (CHEBI:22888)
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