2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid
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2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid
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CAS No:
55327-79-2
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Formula:
C21H23Cl3N2O3
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Chemical Name:
2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid
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Synonyms:
55327-79-2;BRN 4029216;N-(3-Di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-p-chlorophenylalanine;DL-N-(3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-(p-chlorophenyl)alanine;Alanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-(p-chlorophenyl)-, DL-;DTXSID70970665;AKOS024354197;MCULE-3452522731;ST50980627;DL-Phenylalanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-4-chloro- (9CI);N-[{3-[Bis(2-chloroethyl)amino]-4-methylphenyl}(hydroxy)methylidene]-4-chlorophenylalanine;2-({3-[bis(2-chloroethyl)amino]-4-methylphenyl}carbonylamino)-3-(4-chloropheny l)propanoic acid
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CAS No:
2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-(4-chlorophenyl)propanoic acid Basic Attributes
457.8 g/mol
456.077426 g/mol
Computed Properties
Molecular Weight:457.8
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:456.077426
Monoisotopic Mass:456.077426
Topological Polar Surface Area:69.6
Heavy Atom Count:29
Complexity:523
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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