CHEBI:107006 - N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
ChEBI ID CHEBI:107006
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C35H52N4O5
Net Charge 0
Average Mass 608.813
Monoisotopic Mass 608.39377
InChI InChI=1S/C35H52N4O5/c1-25-21-39(26(2)24-40)35(42)31-20-30(37-34(41)29-11-6-5-7-12-29)13-14-32(31)44-27(3)10-8-9-19-43-33(25)23-38(4)22-28-15-17-36-18-16-28/h13-18,20,25-27,29,33,40H,5-12,19,21-24H2,1-4H3,(H,37,41)/t25-,26-,27-,33-/m0/s1
InChIKey FHYFYPZRCDKSKV-KIAQLKRMSA-N
SMILES C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4
ChEBI Ontology
Outgoing N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:107006) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:107006) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-18360 LINCS
View more database links