EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125758 - 1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-phenylurea

ChEBI IDCHEBI:125758
ChEBI Name1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-phenylurea
Stars
DownloadsMolfile
FormulaC33H48N4O5
Net Charge0
Average Mass580.770
Monoisotopic Mass580.36247
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O
InChIInChI=1S/C33H48N4O5/c1-23-19-37(24(2)22-38)32(39)29-18-28(35-33(40)34-27-11-6-5-7-12-27)15-16-30(29)42-25(3)10-8-9-17-41-31(23)21-36(4)20-26-13-14-26/h5-7,11-12,15-16,18,23-26,31,38H,8-10,13-14,17,19-22H2,1-4H3,(H2,34,35,40)/t23-,24+,25-,31+/m0/s1
InChIKeyWSGOBIVUANXEAU-TXHDDHBJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-phenylurea (CHEBI:125758) is a azamacrocycle (CHEBI:52898)
1-[(3S,9S,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-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-phenylurea (CHEBI:125758) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-37327LINCS