CHEBI:101580 - N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-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-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
ChEBI ID CHEBI:101580
Stars This entity has been manually annotated by a third party.
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Formula C27H36N4O5
Net Charge 0
Average Mass 496.600
Monoisotopic Mass 496.26857
InChI InChI=1S/C27H36N4O5/c1-6-8-25(32)29-21-10-11-22-23(13-21)36-17-19(3)31(26(33)20-9-7-12-28-14-20)15-18(2)24(35-5)16-30(4)27(22)34/h7,9-14,18-19,24H,6,8,15-17H2,1-5H3,(H,29,32)/t18-,19+,24-/m0/s1
InChIKey IERCBNABLGDWRK-GLDPYIMESA-N
SMILES CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)C(=O)C3=CN=CC=C3)C)OC)C
ChEBI Ontology
Outgoing N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide (CHEBI:101580) is a azamacrocycle (CHEBI:52898)
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide (CHEBI:101580) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-12943 LINCS
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