CHEBI:100168 - N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
ChEBI ID CHEBI:100168
Stars This entity has been manually annotated by a third party.
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Formula C25H36N4O5S
Net Charge 0
Average Mass 504.644
Monoisotopic Mass 504.24064
InChI InChI=1S/C25H36N4O5S/c1-6-35(31,32)27-20-10-11-23-22(13-20)25(30)28(4)16-24(33-5)18(2)14-29(19(3)17-34-23)15-21-9-7-8-12-26-21/h7-13,18-19,24,27H,6,14-17H2,1-5H3/t18-,19-,24+/m1/s1
InChIKey NFKQXDUJHPCZLU-IECBHUPTSA-N
SMILES CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C
ChEBI Ontology
Outgoing N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:100168) is a azamacrocycle (CHEBI:52898)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide (CHEBI:100168) is a lactam (CHEBI:24995)
Manual Xref Database
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