CHEBI:128579 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-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:128579
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H51N5O7
Net Charge 0
Average Mass 665.821
Monoisotopic Mass 665.37885
InChI InChI=1S/C36H51N5O7/c1-23-19-41(24(2)22-42)35(43)31-18-29(37-36(44)38-34-26(4)39-48-27(34)5)13-16-32(31)47-25(3)10-8-9-17-46-33(23)21-40(6)20-28-11-14-30(45-7)15-12-28/h11-16,18,23-25,33,42H,8-10,17,19-22H2,1-7H3,(H2,37,38,44)/t23-,24-,25-,33-/m1/s1
InChIKey MGPHRGGOYUUWIR-NZICMRGFSA-N
SMILES C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC
ChEBI Ontology
Outgoing 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:128579) is a azamacrocycle (CHEBI:52898)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea (CHEBI:128579) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-40133 LINCS
View more database links
Last Modified
03 March 2016