2-[(9,15,15-trimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetic acid
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![2-[(9,15,15-trimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bbe07ed21a6541c0ae9b522e082c0b78.png "2-[(9,15,15-trimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetic acid")
2-[(9,15,15-trimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetic acid
structure -
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CAS No:
861635-14-5
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Formula:
C16H16N6O3S2
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Chemical Name:
2-[(9,15,15-trimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetic acid
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Synonyms:
AKOS032391945;861635-14-5
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CAS No:
2-[(9,15,15-trimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetic acid Basic Attributes
404.5 g/mol
404.07253074 g/mol
Computed Properties
Molecular Weight:404.5
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:404.07253074
Monoisotopic Mass:404.07253074
Topological Polar Surface Area:162
Heavy Atom Count:27
Complexity:627
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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