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CHEBI:127746 - N'-(2-aminophenyl)-N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

ChEBI IDCHEBI:127746
ChEBI NameN'-(2-aminophenyl)-N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-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](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O
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+/m0/s1
InChIKeyISSFQUZIRZXYME-XLCATFGMSA-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-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:127746) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:127746) is a aromatic amine (CHEBI:33860)
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