EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128633 - 1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:128633
ChEBI Name1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC33H56N4O5
Net Charge0
Average Mass588.834
Monoisotopic Mass588.42507
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1CCCCC1)OCCCC[C@H](C)O2
InChIInChI=1S/C33H56N4O5/c1-23(2)34-33(40)35-28-15-16-30-29(18-28)32(39)37(25(4)22-38)19-24(3)31(41-17-11-10-12-26(5)42-30)21-36(6)20-27-13-8-7-9-14-27/h15-16,18,23-27,31,38H,7-14,17,19-22H2,1-6H3,(H2,34,35,40)/t24-,25+,26+,31-/m1/s1
InChIKeyLVWPDIFFHCBIRV-SQRAXXTESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:128633) is a azamacrocycle (CHEBI:52898)
1-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea (CHEBI:128633) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-40187LINCS