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CHEBI:127972 - N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

ChEBI IDCHEBI:127972
ChEBI NameN'-(2-aminophenyl)-N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide
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DownloadsMolfile
FormulaC36H45Cl2N5O5
Net Charge0
Average Mass698.692
Monoisotopic Mass697.27977
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O
InChIInChI=1S/C36H45Cl2N5O5/c1-23-19-43(24(2)22-44)36(47)27-18-26(40-34(45)11-5-4-6-12-35(46)41-31-10-8-7-9-30(31)39)14-16-32(27)48-33(23)21-42(3)20-25-13-15-28(37)29(38)17-25/h7-10,13-18,23-24,33,44H,4-6,11-12,19-22,39H2,1-3H3,(H,40,45)(H,41,46)/t23-,24+,33+/m0/s1
InChIKeyQAVYVNAGSVFDOJ-BCWKHWSNSA-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-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:127972) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:127972) is a aromatic amine (CHEBI:33860)
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