EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124774 - 4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

ChEBI IDCHEBI:124774
ChEBI Name4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
Stars
DownloadsMolfile
FormulaC27H45N5O5
Net Charge0
Average Mass519.687
Monoisotopic Mass519.34207
SMILESCC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)CCCN(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C27H45N5O5/c1-18(2)28-27(36)31(7)16-24-19(3)15-32(20(4)17-33)26(35)14-21-13-22(10-11-23(21)37-24)29-25(34)9-8-12-30(5)6/h10-11,13,18-20,24,33H,8-9,12,14-17H2,1-7H3,(H,28,36)(H,29,34)/t19-,20+,24+/m1/s1
InChIKeyVLBHGRFCSTYTLU-NMMYMHLASA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:124774) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-36216LINCS