(2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
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![(2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/326db7dc0e394334b1f373355c7c8bc6.png "(2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid")
(2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
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CAS No:
38232-20-1
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Formula:
C23H34Cl2N4O4
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Chemical Name:
(2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
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Synonyms:
MF 13;MF-13;MF13 cpd;Pro-3-BCA-Phe-Nva ethyl ester;prolyl-m-(bis(chloroethyl)amino)phenylalanyl-norvaline ethyle ester hydrochloride;MF 13;38232-20-1;MF13 Cpd;(S)-2-((S)-3-(3-(bis(2-chloroethyl)amino)phenyl)-2-((S)-pyrrolidine-2-carboxamido)propanamido)pentanoic acid;Pro-3-bca-phe-nva ethyl ester;MF-13;DTXSID60191625;Prolyl-m-(bis(chloroethyl)amino)phenylalanyl-norvaline ethyle ester hydrochloride;L-Norvaline, N-(3-(bis(2-chloroethyl)amino)-N-L-prolyl-L-phenylalanyl)-
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CAS No:
(2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid Basic Attributes
501.4 g/mol
500.1957110 g/mol
DTXSID60191625
Computed Properties
Molecular Weight:501.4
XLogP3:0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:14
Exact Mass:500.1957110
Monoisotopic Mass:500.1957110
Topological Polar Surface Area:111
Heavy Atom Count:33
Complexity:634
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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