2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid
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![2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b65c4dc0917e4373b69844436d8bf0c2.png "2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid")
2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid
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CAS No:
7474-77-3
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Formula:
C17H22N2O4S
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Chemical Name:
2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid
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Synonyms:
7474-77-3;NSC401076;DTXSID70322362;2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid;NSC-401076;DS-000134;L-cysteine,n-(n-acetyl-2,3-didehydrovalyl)-s-(phenylmethyl)-(9ci)
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CAS No:
2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid Basic Attributes
350.4 g/mol
350.13002836 g/mol
401076
DTXSID70322362
Computed Properties
Molecular Weight:350.4
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:350.13002836
Monoisotopic Mass:350.13002836
Topological Polar Surface Area:121
Heavy Atom Count:24
Complexity:495
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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