1-[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
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![1-[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a5f706c9ae07402e9d8e7f359e2c7c4e.png "1-[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid")
1-[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
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CAS No:
735336-16-0
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Formula:
C23H23N3O4S2
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Chemical Name:
1-[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
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Synonyms:
ZINC3320278;AKOS033635120;CCG-335548;MCULE-6121737182;Z18649479;1-[2-({12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetyl]piperidine-4-carboxylic acid;735336-16-0
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CAS No:
1-[2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Basic Attributes
469.6 g/mol
469.11299857 g/mol
Computed Properties
Molecular Weight:469.6
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:469.11299857
Monoisotopic Mass:469.11299857
Topological Polar Surface Area:144
Heavy Atom Count:32
Complexity:792
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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