CHEBI:104583 - 1-cyclohexyl-3-[(3R,9S,10S)-9-[(dimethylamino)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]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-cyclohexyl-3-[(3R,9S,10S)-9-[(dimethylamino)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]urea
ChEBI ID CHEBI:104583
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H50N4O5
Net Charge 0
Average Mass 546.743
Monoisotopic Mass 546.37812
InChI InChI=1S/C30H50N4O5/c1-21-18-34(22(2)20-35)29(36)26-17-25(32-30(37)31-24-12-7-6-8-13-24)14-15-27(26)39-23(3)11-9-10-16-38-28(21)19-33(4)5/h14-15,17,21-24,28,35H,6-13,16,18-20H2,1-5H3,(H2,31,32,37)/t21-,22+,23+,28+/m0/s1
InChIKey VUABGABXFJSUSX-TUEWKVEFSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)C
ChEBI Ontology
Outgoing 1-cyclohexyl-3-[(3R,9S,10S)-9-[(dimethylamino)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]urea (CHEBI:104583) is a azamacrocycle (CHEBI:52898)
1-cyclohexyl-3-[(3R,9S,10S)-9-[(dimethylamino)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]urea (CHEBI:104583) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-15947 LINCS
View more database links