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CHEBI:128676 - N-(2-aminophenyl)-N'-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide

ChEBI IDCHEBI:128676
ChEBI NameN-(2-aminophenyl)-N'-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide
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DownloadsMolfile
FormulaC36H47N5O5
Net Charge0
Average Mass629.802
Monoisotopic Mass629.35772
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)c2O[C@H]1CN(C)Cc1ccccc1
InChIInChI=1S/C36H47N5O5/c1-25-21-41(26(2)24-42)36(45)28-15-12-18-31(35(28)46-32(25)23-40(3)22-27-13-6-4-7-14-27)39-34(44)20-9-5-8-19-33(43)38-30-17-11-10-16-29(30)37/h4,6-7,10-18,25-26,32,42H,5,8-9,19-24,37H2,1-3H3,(H,38,43)(H,39,44)/t25-,26-,32+/m1/s1
InChIKeyCMNGXMPORQTCON-VHNUMCGNSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-N'-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:128676) is a aromatic amide (CHEBI:62733)
N-(2-aminophenyl)-N'-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:128676) is a aromatic amine (CHEBI:33860)
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