CAS
22839-12-9 Purity
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22839-12-9 Purity
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L-Phenylalanine,l-b-aspartyl-,2-methyl ester
CAS
22839-61-8
Catalog Number
ACM22839618
Category
Other Products
Molecular Weight
294.3031
Molecular Formula
C14H18N2O5
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Specification
Synonyms
beta-Asp-Phe methyl ester, Ambsda500016187, A1050_SIGMA, 421677_ALDRICH, EINECS 245-262-9, MolPort-001-792-416, CID89862, CPD-8982, Nbeta-L-aspartyl-phenylalanine methyl ester, N-beta-L-Aspartyl-L-phenylalanine methyl ester, 1-Methyl N-L-beta-aspartyl-3-phenyl-L-alaninate, 22839-61-8
IUPAC Name
(2S)-2-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Canonical SMILES
COC(=O)C(CC1=CC=CC=C1)NC(=O)CC(C(=O)O)N
InChI Key
SHHIPKDJQYIJJF-QWRGUYRKSA-N
Boiling Point
540.2ºC at 760mmHg
Melting Point
201-204ºC (dec.)(lit.)
Flash Point
280.5ºC
Density
1.28g/cm³
EC Number
245-262-9
Exact Mass
294.12200
H-Bond Acceptor
6
H-Bond Donor
3
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