[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7b706ab79bcd40caa28c51e235292133.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
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CAS No:
956505-55-8
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Formula:
C26H25N3O5S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
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Synonyms:
ZINC3325722;AKOS034826425;MCULE-6213524048;Z56916275;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl (2S)-2-[(furan-2-yl)formamido]-3-phenylpropanoate;956505-55-8
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Basic Attributes
491.6 g/mol
491.15149208 g/mol
Computed Properties
Molecular Weight:491.6
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:491.15149208
Monoisotopic Mass:491.15149208
Topological Polar Surface Area:150
Heavy Atom Count:35
Complexity:808
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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