(2S)-5-amino-2-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
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![(2S)-5-amino-2-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/042d558d1c914231b9d74ae894195f4f.png "(2S)-5-amino-2-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid")
(2S)-5-amino-2-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
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CAS No:
79133-10-1
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Formula:
C19H23Cl2F6N3O7
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Chemical Name:
(2S)-5-amino-2-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
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Synonyms:
gamma-(N,N-bis(2-chloroethyl)-4-phenylenediamine)glutamic acid;gamma-glutamyl 4-phenylene diamine mustard;gamma-glutamyl p-phenylene diamine mustard;gamma-glutamyl PPDM;gamma-glutamyl-p-phenylene diamine mustard ditrifluoroacetate;GDPM;p-(bis(2-chloroethyl)amino)-L-gamma-glutamylanilide;79133-10-1;gamma-Glutamyl ppdm;GDPM;gamma-Glutamyl 4-phenylene diamine mustard;gamma-Glutamyl p-phenylene diamine mustard;p-(Bis(2-chloroethyl)amino)-L-gamma-glutamylanilide;DTXSID601000293;gamma-Glutamyl-p-phenylene diamine mustard ditrifluoroacetate;gamma-(N,N-Bis(2-chloroethyl)-4-phenylenediamine)glutamic acid;L-Glutamine, N-(4-(bis(2-chloroethyl)amino)phenyl)-, bis(trifluoroacetate);N-{4-[Bis(2-chloroethyl)amino]phenyl}-5-hydroxy-5-iminonorvaline--trifluoroacetic acid (1/2)
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CAS No:
(2S)-5-amino-2-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid Basic Attributes
590.3 g/mol
589.0817244 g/mol
Computed Properties
Molecular Weight:590.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:11
Exact Mass:589.0817244
Monoisotopic Mass:589.0817244
Topological Polar Surface Area:170
Heavy Atom Count:37
Complexity:454
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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