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CHEBI:128567 - N-(2-aminophenyl)-N'-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide

ChEBI IDCHEBI:128567
ChEBI NameN-(2-aminophenyl)-N'-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide
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DownloadsMolfile
FormulaC36H53N5O5
Net Charge0
Average Mass635.850
Monoisotopic Mass635.40467
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O
InChIInChI=1S/C36H53N5O5/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/h10-12,15-18,25-27,32,42H,4-9,13-14,19-24,37H2,1-3H3,(H,38,43)(H,39,44)/t25-,26+,32+/m0/s1
InChIKeyGHZMXVOCHVGOQG-NSTRGFCRSA-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'-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:128567) is a aromatic amide (CHEBI:62733)
N-(2-aminophenyl)-N'-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]heptanediamide (CHEBI:128567) is a aromatic amine (CHEBI:33860)
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