CHEBI:104568 - N-[(5S,6R,9R)-8-[2-(dimethylamino)-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]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5S,6R,9R)-8-[2-(dimethylamino)-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]butanamide
ChEBI ID CHEBI:104568
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H40N4O5
Net Charge 0
Average Mass 476.610
Monoisotopic Mass 476.29987
InChI InChI=1S/C25H40N4O5/c1-8-9-23(30)26-19-10-11-20-21(12-19)34-16-18(3)29(24(31)15-27(4)5)13-17(2)22(33-7)14-28(6)25(20)32/h10-12,17-18,22H,8-9,13-16H2,1-7H3,(H,26,30)/t17-,18-,22-/m1/s1
InChIKey REUNTGUOEHKOBZ-JBYIUTFZSA-N
SMILES CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@@H](CO2)C)C(=O)CN(C)C)C)OC)C
ChEBI Ontology
Outgoing N-[(5S,6R,9R)-8-[2-(dimethylamino)-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]butanamide (CHEBI:104568) is a azamacrocycle (CHEBI:52898)
N-[(5S,6R,9R)-8-[2-(dimethylamino)-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]butanamide (CHEBI:104568) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-15932 LINCS
View more database links