CHEBI:100866 - N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide
ChEBI ID CHEBI:100866
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H36FN3O5
Net Charge 0
Average Mass 525.613
Monoisotopic Mass 525.26390
InChI InChI=1S/C29H36FN3O5/c1-18-15-33(27(34)13-20-5-6-20)19(2)17-38-25-14-23(31-28(35)21-7-9-22(30)10-8-21)11-12-24(25)29(36)32(3)16-26(18)37-4/h7-12,14,18-20,26H,5-6,13,15-17H2,1-4H3,(H,31,35)/t18-,19+,26-/m1/s1
InChIKey QTFKJTMJQVNOKY-UYXZNNOOSA-N
SMILES C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4CC4
ChEBI Ontology
Outgoing N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide (CHEBI:100866) is a azamacrocycle (CHEBI:52898)
N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide (CHEBI:100866) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-12240 LINCS
View more database links