EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:126407 - 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-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

ChEBI IDCHEBI:126407
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-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide
Stars
DownloadsMolfile
FormulaC37H47N5O7
Net Charge0
Average Mass673.811
Monoisotopic Mass673.34755
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O
InChIInChI=1S/C37H47N5O7/c1-24-19-42(25(2)22-43)37(46)28-18-27(39-35(44)11-5-4-6-12-36(45)40-30-10-8-7-9-29(30)38)14-16-31(28)49-34(24)21-41(3)20-26-13-15-32-33(17-26)48-23-47-32/h7-10,13-18,24-25,34,43H,4-6,11-12,19-23,38H2,1-3H3,(H,39,44)(H,40,45)/t24-,25+,34+/m0/s1
InChIKeyZTQXGGITVIKSRM-VIPXIGFPSA-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-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:126407) 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-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:126407) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-37972LINCS