2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(4-chlorophenyl)propanoic acid
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![2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(4-chlorophenyl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/91eb8e7de9184c5e88a6e10ea79edc8a.png "2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(4-chlorophenyl)propanoic acid")
2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(4-chlorophenyl)propanoic acid
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CAS No:
55327-81-6
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Formula:
C21H23Cl3N2O3
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Chemical Name:
2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(4-chlorophenyl)propanoic acid
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Synonyms:
55327-81-6;BRN 4029225;N-(4-Di-(2-chloroethyl)aminophenylacetyl)-DL-p-chlorophenylalanine;DL-N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-3-(p-chlorophenyl)alanine;ALANINE, N-((4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)ACETYL)-3-(p-CHLOROPHENYL)-, DL-;MLS001207404;CHEMBL1439022;DTXSID30970666;HMS2839O04;AKOS000601916;AKOS024346495;MCULE-4148652375;NCGC00245152-01;SMR000514546;ST50577258;2-(2-{4-[bis(2-chloroethyl)amino]phenyl}acetylamino)-3-(4-chlorophenyl)propano ic acid;DL-Phenylalanine, N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-4-chloro- (9CI);N-(2-{4-[Bis(2-chloroethyl)amino]phenyl}-1-hydroxyethylidene)-4-chlorophenylalanine;2-(2-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-acetylamino)-3-(4-chloro-phenyl)-propionic acid
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CAS No:
2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(4-chlorophenyl)propanoic acid Basic Attributes
457.8 g/mol
456.077426 g/mol
Computed Properties
Molecular Weight:457.8
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:456.077426
Monoisotopic Mass:456.077426
Topological Polar Surface Area:69.6
Heavy Atom Count:29
Complexity:501
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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