CHEBI:104438 - N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
ChEBI ID CHEBI:104438
Stars This entity has been manually annotated by a third party.
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Formula C31H35N5O4S
Net Charge 0
Average Mass 573.708
Monoisotopic Mass 573.24098
InChI InChI=1S/C31H35N5O4S/c1-20-16-36(17-22-8-7-13-32-15-22)21(2)19-40-26-14-23(11-12-24(26)31(38)35(3)18-27(20)39-4)33-29(37)30-34-25-9-5-6-10-28(25)41-30/h5-15,20-21,27H,16-19H2,1-4H3,(H,33,37)/t20-,21+,27-/m1/s1
InChIKey HCXQDEKJJPGAJR-PBDKAQRYSA-N
SMILES C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@H]1OC)C)C)CC5=CN=CC=C5
ChEBI Ontology
Outgoing N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide (CHEBI:104438) is a azamacrocycle (CHEBI:52898)
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide (CHEBI:104438) is a lactam (CHEBI:24995)
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