CHEBI:100010 - N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide
ChEBI ID CHEBI:100010
Stars This entity has been manually annotated by a third party.
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Formula C28H39N3O4
Net Charge 0
Average Mass 481.628
Monoisotopic Mass 481.29406
InChI InChI=1S/C28H39N3O4/c1-6-27(32)29-23-12-13-24-25(16-23)35-19-21(3)31(15-14-22-10-8-7-9-11-22)17-20(2)26(34-5)18-30(4)28(24)33/h7-13,16,20-21,26H,6,14-15,17-19H2,1-5H3,(H,29,32)/t20-,21-,26+/m0/s1
InChIKey IOFIBAZLXDARLU-ISJBWFOZSA-N
SMILES CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CCC3=CC=CC=C3)C)OC)C
ChEBI Ontology
Outgoing N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide (CHEBI:100010) is a azamacrocycle (CHEBI:52898)
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide (CHEBI:100010) is a lactam (CHEBI:24995)
Manual Xref Database
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