(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
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![(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/efb31b3bb8f34650aa89d29181ab1659.png "(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid")
(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
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CAS No:
74259-08-8
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Formula:
C18H24N2O4S
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Chemical Name:
(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
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Synonyms:
deacetylalacepril;desacetyl-alacepril;desacetylalacepril;DU 1227;DU-1227;Desacetyl-alacepril;UNII-B6B1RRA3XL;B6B1RRA3XL;DU-1227;74259-08-8;Deacetylalacepril;DESACETYLALACEPRIL;SCHEMBL7388881;DTXSID30225264;(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid;C21533;L-Phenylalanine, N-(1-(3-mercapto-2-methyl-1-oxopropyl)-L-prolyl)-, (S)-
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CAS No:
(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Basic Attributes
364.5 g/mol
364.14567842 g/mol
B6B1RRA3XL
DTXSID30225264
Computed Properties
Molecular Weight:364.5
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:364.14567842
Monoisotopic Mass:364.14567842
Topological Polar Surface Area:87.7
Heavy Atom Count:25
Complexity:494
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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