4-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]butanoic acid
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![4-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4fac27ab71084e43b597c632d65d84c6.png "4-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]butanoic acid")
4-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]butanoic acid
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CAS No:
849012-22-2
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Formula:
C15H19N3O3S2
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Chemical Name:
4-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]butanoic acid
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Synonyms:
ZINC2451593;STL312622;AKOS022102356;MCULE-8677177859;4-[(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoic acid;849012-22-2
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CAS No:
4-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]butanoic acid Basic Attributes
353.5 g/mol
353.08678382 g/mol
Computed Properties
Molecular Weight:353.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:353.08678382
Monoisotopic Mass:353.08678382
Topological Polar Surface Area:152
Heavy Atom Count:23
Complexity:452
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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