2-[[2-[[2-[(1-carboxy-2-methylbutyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylpentanoic acid
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![2-[[2-[[2-[(1-carboxy-2-methylbutyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/716bcd2fd0eb4e84b02495be5187db79.png "2-[[2-[[2-[(1-carboxy-2-methylbutyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylpentanoic acid")
2-[[2-[[2-[(1-carboxy-2-methylbutyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylpentanoic acid
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CAS No:
171744-42-6
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Formula:
C26H32N2O6S2
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Chemical Name:
2-[[2-[[2-[(1-carboxy-2-methylbutyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylpentanoic acid
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Synonyms:
DIBA-4;171744-42-6;DL-Isoleucine, N,N'-(dithiobis(2,1-phenylenecarbonyl))bis-;DL-Isoleucine, N,N'-[dithiobis(2,1-phenylenecarbonyl)]bis-;SCHEMBL6224201;2,2'-Dithiobis(2,1-phenylenecarbonylimino)bis(3-methylvaleric acid);2-[[2-[[2-[(1-carboxy-2-methyl-butyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methyl-pentanoic acid;2-[[2-[[2-[(1-carboxy-2-methylbutyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylpentanoic acid
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CAS No:
2-[[2-[[2-[(1-carboxy-2-methylbutyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylpentanoic acid Basic Attributes
532.7 g/mol
532.17017909 g/mol
Computed Properties
Molecular Weight:532.7
XLogP3:5.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:532.17017909
Monoisotopic Mass:532.17017909
Topological Polar Surface Area:183
Heavy Atom Count:36
Complexity:705
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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