CHEBI:100914 - N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide

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ChEBI Name N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide
ChEBI ID CHEBI:100914
Stars This entity has been manually annotated by a third party.
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Formula C30H34N6O4S
Net Charge 0
Average Mass 574.696
Monoisotopic Mass 574.23622
InChI InChI=1S/C30H34N6O4S/c1-19-14-36(15-21-12-31-18-32-13-21)20(2)17-40-25-10-9-22(11-23(25)30(38)35(3)16-26(19)39-4)33-28(37)29-34-24-7-5-6-8-27(24)41-29/h5-13,18-20,26H,14-17H2,1-4H3,(H,33,37)/t19-,20-,26+/m1/s1
InChIKey AMMFZKQUXZGGMQ-KYTVRQNUSA-N
SMILES C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4S3)C(=O)N(C[C@@H]1OC)C)C)CC5=CN=CN=C5
ChEBI Ontology
Outgoing N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide (CHEBI:100914) is a azamacrocycle (CHEBI:52898)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzothiazole-2-carboxamide (CHEBI:100914) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-12288 LINCS
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