2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoic acid
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![2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5f76924b42944055a3981ab870d2aedb.png "2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoic acid")
2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoic acid
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CAS No:
6754-85-4
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Formula:
C21H31Cl2N3O4
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Chemical Name:
2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoic acid
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Synonyms:
Asaley acid;NSC-261105;6754-85-4;L-Leucine, N-[N-acetyl-4-[bis(2-chloroethyl)amino]-DL-phenylalanyl]-;MLS000713401;CHEMBL1312861;DTXSID70330462;HMS2631O22;NSC261105;AKOS000588627;AKOS024304120;MCULE-5419343387;SMR000272882;ST50225827;2-(2-(acetylamino)-3-{4-[bis(2-chloroethyl)amino]phenyl}propanoylamino)-4-meth ylpentanoic acid;2-[(2-(acetylamino)-3-{4-[bis(2-chloroethyl)amino]phenyl}propanoyl)amino]-4-methylpentanoic acid
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CAS No:
2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-4-methylpentanoic acid Basic Attributes
460.4 g/mol
459.1691619 g/mol
261105
DTXSID70330462
Computed Properties
Molecular Weight:460.4
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:459.1691619
Monoisotopic Mass:459.1691619
Topological Polar Surface Area:98.7
Heavy Atom Count:30
Complexity:548
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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