EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130642 - 1-[(3S,9R,10R)-9-[[cyclopropylmethyl(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-(1-naphthalenyl)urea

ChEBI IDCHEBI:130642
ChEBI Name1-[(3S,9R,10R)-9-[[cyclopropylmethyl(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-(1-naphthalenyl)urea
Stars
DownloadsMolfile
FormulaC37H50N4O5
Net Charge0
Average Mass630.830
Monoisotopic Mass630.37812
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)CC1CC1
InChIInChI=1S/C37H50N4O5/c1-25-21-41(26(2)24-42)36(43)32-20-30(38-37(44)39-33-14-9-12-29-11-5-6-13-31(29)33)17-18-34(32)46-27(3)10-7-8-19-45-35(25)23-40(4)22-28-15-16-28/h5-6,9,11-14,17-18,20,25-28,35,42H,7-8,10,15-16,19,21-24H2,1-4H3,(H2,38,39,44)/t25-,26+,27+,35+/m1/s1
InChIKeyRPQNKPQYAVBHIP-PUNARZIMSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3S,9R,10R)-9-[[cyclopropylmethyl(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-(1-naphthalenyl)urea (CHEBI:130642) is a azamacrocycle (CHEBI:52898)
1-[(3S,9R,10R)-9-[[cyclopropylmethyl(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-(1-naphthalenyl)urea (CHEBI:130642) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-42191LINCS