CHEBI:101941 - N-[(4R,7R,8S)-5-(4-chlorophenyl)sulfonyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(4R,7R,8S)-5-(4-chlorophenyl)sulfonyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide
ChEBI ID CHEBI:101941
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H38ClN3O7S
Net Charge 0
Average Mass 608.148
Monoisotopic Mass 607.21190
InChI InChI=1S/C29H38ClN3O7S/c1-19-16-33(41(36,37)24-8-5-22(30)6-9-24)20(2)18-40-26-10-7-23(31-28(34)21-11-13-39-14-12-21)15-25(26)29(35)32(3)17-27(19)38-4/h5-10,15,19-21,27H,11-14,16-18H2,1-4H3,(H,31,34)/t19-,20-,27-/m1/s1
InChIKey IYBICYHBWQURDQ-SEXOINJZSA-N
SMILES C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCOCC3)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=C(C=C4)Cl
ChEBI Ontology
Outgoing N-[(4R,7R,8S)-5-(4-chlorophenyl)sulfonyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide (CHEBI:101941) is a azamacrocycle (CHEBI:52898)
N-[(4R,7R,8S)-5-(4-chlorophenyl)sulfonyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide (CHEBI:101941) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-13302 LINCS
View more database links