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CHEBI:126211 - N'-(2-aminophenyl)-N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

ChEBI IDCHEBI:126211
ChEBI NameN'-(2-aminophenyl)-N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]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
FormulaC37H47Cl2N5O5
Net Charge0
Average Mass712.719
Monoisotopic Mass711.29542
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C37H47Cl2N5O5/c1-24-20-44(25(2)23-45)37(48)19-27-18-28(41-35(46)11-5-4-6-12-36(47)42-32-10-8-7-9-31(32)40)14-16-33(27)49-34(24)22-43(3)21-26-13-15-29(38)30(39)17-26/h7-10,13-18,24-25,34,45H,4-6,11-12,19-23,40H2,1-3H3,(H,41,46)(H,42,47)/t24-,25-,34-/m1/s1
InChIKeyBTOKSVPFEBLMIX-DSRMTXSPSA-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,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:126211) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:126211) is a aromatic amine (CHEBI:33860)
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