CHEBI:98120 - 4-chloro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridin-3-ylacetyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

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ChEBI Name 4-chloro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridin-3-ylacetyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
ChEBI ID CHEBI:98120
Stars This entity has been manually annotated by a third party.
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Formula C30H35ClN4O6S
Net Charge 0
Average Mass 615.142
Monoisotopic Mass 614.19658
InChI InChI=1S/C30H35ClN4O6S/c1-20-17-35(29(36)14-22-6-5-13-32-16-22)21(2)19-41-27-15-24(33-42(38,39)25-10-7-23(31)8-11-25)9-12-26(27)30(37)34(3)18-28(20)40-4/h5-13,15-16,20-21,28,33H,14,17-19H2,1-4H3/t20-,21-,28-/m1/s1
InChIKey IFOGHGBLBLDYKO-UMQWNRPGSA-N
SMILES C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CN=CC=C4
ChEBI Ontology
Outgoing 4-chloro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridin-3-ylacetyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide (CHEBI:98120) is a azamacrocycle (CHEBI:52898)
4-chloro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridin-3-ylacetyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide (CHEBI:98120) is a lactam (CHEBI:24995)
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