CHEBI:104347 - N-[(5S,6S,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]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5S,6S,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]acetamide
ChEBI ID CHEBI:104347
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H36N4O5
Net Charge 0
Average Mass 448.557
Monoisotopic Mass 448.26857
InChI InChI=1S/C23H36N4O5/c1-15-11-27(22(29)13-25(4)5)16(2)14-32-20-10-18(24-17(3)28)8-9-19(20)23(30)26(6)12-21(15)31-7/h8-10,15-16,21H,11-14H2,1-7H3,(H,24,28)/t15-,16+,21+/m0/s1
InChIKey ORSJUXOXPPDIAU-GCKMJXCFSA-N
SMILES C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)CN(C)C
ChEBI Ontology
Outgoing N-[(5S,6S,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]acetamide (CHEBI:104347) is a azamacrocycle (CHEBI:52898)
N-[(5S,6S,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]acetamide (CHEBI:104347) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-15712 LINCS
View more database links