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CHEBI:129644 - N'-(2-aminophenyl)-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

ChEBI IDCHEBI:129644
ChEBI NameN'-(2-aminophenyl)-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide
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FormulaC36H53N5O5
Net Charge0
Average Mass635.850
Monoisotopic Mass635.40467
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C36H53N5O5/c1-25-21-41(26(2)24-42)36(45)29-20-28(18-19-32(29)46-33(25)23-40(3)22-27-12-6-4-7-13-27)38-34(43)16-8-5-9-17-35(44)39-31-15-11-10-14-30(31)37/h10-11,14-15,18-20,25-27,33,42H,4-9,12-13,16-17,21-24,37H2,1-3H3,(H,38,43)(H,39,44)/t25-,26-,33+/m0/s1
InChIKeyHSCCSOBZYXDVBZ-RROHFTNDSA-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-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:129644) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:129644) is a aromatic amine (CHEBI:33860)
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