(2S)-2-[[(2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2S)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
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![(2S)-2-[[(2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2S)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0b07fb7d18e7431b9d2e361b18975f3b.png "(2S)-2-[[(2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2S)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid")
(2S)-2-[[(2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2S)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
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CAS No:
38305-84-9
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Formula:
C27H33Cl2FN4O4
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Chemical Name:
(2S)-2-[[(2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2S)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
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Synonyms:
L-propyl-m-sarc-FPhe;L-propyl-m-sarcolysin-L-p-fluorophenylalanine;propyl-3-sarcolysin-4-fluorophenylalanine;propyl-m-sarc-FPhe;(2S)-2-[[(2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2S)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid;38305-84-9;Propyl-3-sarcolysin-4-fluorophenylalanine;L-Propyl-m-sarcolysyl-L-p-fluorophenylalanine;DTXSID00959226;L-Phenylalanine, N-(3-(bis(2-chloroethyl)amino)-N-L-prolyl-L-phenylalanyl)-4-fluoro-;N-(3-(Bis(2-chloroethyl)amino)-N-L-prolyl-L-phenylalanyl)-4-fluoro-L-phenylalanine;L-propyl-m-sarcolysin-L-p-fluorophenylalanine;3-[Bis(2-chloroethyl)amino]phenylalanyl-4-fluoro-N-prolylphenylalanine
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CAS No:
(2S)-2-[[(2S)-2-amino-3-[3-[bis(2-chloroethyl)amino]phenyl]propanoyl]-[(2S)-pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Basic Attributes
567.5 g/mol
566.1862891 g/mol
Computed Properties
Molecular Weight:567.5
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:566.1862891
Monoisotopic Mass:566.1862891
Topological Polar Surface Area:116
Heavy Atom Count:38
Complexity:780
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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