EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128204 - N'-(2-aminophenyl)-N-[(2S,3R)-2-[[cyclopropylmethyl(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:128204
ChEBI NameN'-(2-aminophenyl)-N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
Stars
DownloadsMolfile
FormulaC34H49N5O5
Net Charge0
Average Mass607.796
Monoisotopic Mass607.37337
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@@H]1CN(C)CC1CC1
InChIInChI=1S/C34H49N5O5/c1-23-19-39(24(2)22-40)34(43)18-26-17-27(15-16-30(26)44-31(23)21-38(3)20-25-13-14-25)36-32(41)11-5-4-6-12-33(42)37-29-10-8-7-9-28(29)35/h7-10,15-17,23-25,31,40H,4-6,11-14,18-22,35H2,1-3H3,(H,36,41)(H,37,42)/t23-,24-,31-/m1/s1
InChIKeyGUMGJXGNMICTIG-OVMXQCPESA-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-[[cyclopropylmethyl(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:128204) is a aromatic amide (CHEBI:62733)
N'-(2-aminophenyl)-N-[(2S,3R)-2-[[cyclopropylmethyl(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:128204) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-39759LINCS