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H-L-Phe(4-NH-poc)-OH (hydrochloride)
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H-L-Phe(4-NH-poc)-OH (hydrochloride)

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Catalog NumberCCR2737202661
CAS2737202-66-1
SynonymsH-Phe(4-NH-Poc) HCl
IUPAC Name(2S)-2-Amino-3-[4-(prop-2-ynoxycarbonylamino)phenyl]propanoic acid;hydrochloride
Molecular Weight298.72
Molecular FormulaC13H15ClN2O4
Canonical SMILESC#CCOC(=O)NC1=CC=C(C=C1)CC(C(=O)O)N.Cl
InChIInChI=1S/C13H14N2O4.ClH/c1-2-7-19-13(18)15-10-5-3-9(4-6-10)8-11(14)12(16)17;/h1,3-6,11H,7-8,14H2,(H,15,18)(H,16,17);1H/t11-;/m0./s1
InChI KeyPKNZLMSSIPKCPT-MERQFXBCSA-N
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity366
Exact Mass298.0720347
Isomeric SMILESC#CCOC(=O)NC1=CC=C(C=C1)C[C@@H](C(=O)O)N.Cl
Monoisotopic Mass298.0720347
Topological Polar Surface Area102 Ų

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