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CHEBI:130487 - N'-(2-aminophenyl)-N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

ChEBI IDCHEBI:130487
ChEBI NameN'-(2-aminophenyl)-N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
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DownloadsMolfile
FormulaC38H49N5O7
Net Charge0
Average Mass687.838
Monoisotopic Mass687.36320
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C38H49N5O7/c1-25-20-43(26(2)23-44)38(47)19-28-18-29(40-36(45)11-5-4-6-12-37(46)41-31-10-8-7-9-30(31)39)14-16-32(28)50-35(25)22-42(3)21-27-13-15-33-34(17-27)49-24-48-33/h7-10,13-18,25-26,35,44H,4-6,11-12,19-24,39H2,1-3H3,(H,40,45)(H,41,46)/t25-,26+,35+/m1/s1
InChIKeyISSFQUZIRZXYME-AWYDNWMNSA-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)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:130487) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:130487) is a aromatic amine (CHEBI:33860)
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