CHEBI:104607 - 1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea

ChEBI IDCHEBI:104607
ChEBI Name1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea
Stars
DownloadsMolfile
FormulaC32H48N4O5
Net Charge0
Average Mass568.759
Monoisotopic Mass568.36247
SMILESCCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C32H48N4O5/c1-6-17-35(5)21-30-23(2)20-36(24(3)22-37)31(38)28-19-27(34-32(39)33-26-13-8-7-9-14-26)15-16-29(28)41-25(4)12-10-11-18-40-30/h7-9,13-16,19,23-25,30,37H,6,10-12,17-18,20-22H2,1-5H3,(H2,33,34,39)/t23-,24+,25+,30+/m0/s1
InChIKeyMWWGHCHVGSQFNB-RZDWVWPCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:104607) is a azamacrocycle (CHEBI:52898)
1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea (CHEBI:104607) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-15970LINCS