(2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid
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![(2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/652fb19a7260468ebae3d96bfdf04a16.png "(2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid")
(2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid
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CAS No:
70703-17-2
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Formula:
C26H21NO3S
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Chemical Name:
(2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid
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Synonyms:
70703-17-2;N-Acetyl-S-(benzo(pqr)tetraphen-6-ylmethyl)-L-cysteine;DTXSID10990963;S-[(Benzo[pqr]tetraphen-6-yl)methyl]-N-(1-hydroxyethylidene)cysteine
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CAS No:
(2R)-2-acetamido-3-(benzo[b]pyren-6-ylmethylsulfanyl)propanoic acid Basic Attributes
427.5 g/mol
427.12421471 g/mol
Computed Properties
Molecular Weight:427.5
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:427.12421471
Monoisotopic Mass:427.12421471
Topological Polar Surface Area:91.7
Heavy Atom Count:31
Complexity:684
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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