(2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
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![(2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4dc1569685544bef883b866ffc3b9554.png "(2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid")
(2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
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CAS No:
112710-37-9
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Formula:
C16H23Cl2N3O3
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Chemical Name:
(2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
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Synonyms:
beta-alanylmelphalan;melphalan, beta-alanyl-;beta-Alanylmelphalan;112710-37-9;Melphalan, beta-alanyl-;DTXSID30150148;N-beta-Alanyl-4-(bis(2-chloroethyl)amino)-L-phenylalanine;L-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-
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CAS No:
(2S)-2-(3-aminopropanoylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid Basic Attributes
376.3 g/mol
375.1116470 g/mol
DTXSID30150148
Computed Properties
Molecular Weight:376.3
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:375.1116470
Monoisotopic Mass:375.1116470
Topological Polar Surface Area:95.7
Heavy Atom Count:24
Complexity:385
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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