(1S,2S,4S,13S)-10-methoxy-3,9-dimethyl-15-oxa-3,6,17-triazapentacyclo[11.4.0.01,6.02,4.07,12]heptadeca-7(12),9-diene-8,11,16-trione
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![(1S,2S,4S,13S)-10-methoxy-3,9-dimethyl-15-oxa-3,6,17-triazapentacyclo[11.4.0.01,6.02,4.07,12]heptadeca-7(12),9-diene-8,11,16-trione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/412ebaf377514a159cdade5c75579f7c.png "(1S,2S,4S,13S)-10-methoxy-3,9-dimethyl-15-oxa-3,6,17-triazapentacyclo[11.4.0.01,6.02,4.07,12]heptadeca-7(12),9-diene-8,11,16-trione")
(1S,2S,4S,13S)-10-methoxy-3,9-dimethyl-15-oxa-3,6,17-triazapentacyclo[11.4.0.01,6.02,4.07,12]heptadeca-7(12),9-diene-8,11,16-trione
structure -
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CAS No:
27164-43-8
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Formula:
C16H17N3O5
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Chemical Name:
(1S,2S,4S,13S)-10-methoxy-3,9-dimethyl-15-oxa-3,6,17-triazapentacyclo[11.4.0.01,6.02,4.07,12]heptadeca-7(12),9-diene-8,11,16-trione
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Synonyms:
mitiromycin;Mitiromycin;27164-43-8;Mitiromycin A2;DTXSID50949910;2-Hydroxy-6-methoxy-7,11-dimethyl-4,4a,10,10a,11,11a-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a][1,3]oxazino[4,5-b]indole-5,8-dione;Azirino(2',3':3,4)pyrrolo(1,2-a)(1,3)oxazino(4,5-b)indole-2,5,8(1H)-trione, 4,4a,10,10a,11,11a-hexahydro-6-methoxy-7,11-dimethyl-, (4aS-(4aalpha,10abeta,11abeta,11bR*))-
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CAS No:
(1S,2S,4S,13S)-10-methoxy-3,9-dimethyl-15-oxa-3,6,17-triazapentacyclo[11.4.0.01,6.02,4.07,12]heptadeca-7(12),9-diene-8,11,16-trione Basic Attributes
331.32 g/mol
331.11682065 g/mol
Computed Properties
Molecular Weight:331.32
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:331.11682065
Monoisotopic Mass:331.11682065
Topological Polar Surface Area:88
Heavy Atom Count:24
Complexity:800
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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