EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96465 - 1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[4-(1-piperidinyl)phenyl]urea

ChEBI IDCHEBI:96465
ChEBI Name1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[4-(1-piperidinyl)phenyl]urea
Stars
DownloadsMolfile
FormulaC28H43N7O4
Net Charge0
Average Mass541.697
Monoisotopic Mass541.33765
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(N3CCCCC3)cc2)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C28H43N7O4/c1-21-16-35(22(2)19-36)27(37)8-7-15-34-17-24(30-31-34)20-39-26(21)18-32(3)28(38)29-23-9-11-25(12-10-23)33-13-5-4-6-14-33/h9-12,17,21-22,26,36H,4-8,13-16,18-20H2,1-3H3,(H,29,38)/t21-,22+,26+/m0/s1
InChIKeyHFDOIJULVRDPRU-VVZHRXSXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[4-(1-piperidinyl)phenyl]urea (CHEBI:96465) is a azamacrocycle (CHEBI:52898)
1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[4-(1-piperidinyl)phenyl]urea (CHEBI:96465) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-7844LINCS