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1600499-51-1 | L-Phenylalanine, N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-L-α-aspartyl-, 2-methyl ester
CAS No: 1600499-51-1 Catalog No: AG001RMU MDL No:
Product Description
Catalog Number:
AG001RMU
Chemical Name:
L-Phenylalanine, N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-L-α-aspartyl-, 2-methyl ester
CAS Number:
1600499-51-1
IUPAC Name:
(3S)-3-[2-(3-hydroxy-4-methoxyphenyl)ethylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C23H28N2O7/c1-31-20-9-8-16(13-19(20)26)10-11-24-17(14-21(27)28)22(29)25-18(23(30)32-2)12-15-6-4-3-5-7-15/h3-9,13,17-18,24,26H,10-12,14H2,1-2H3,(H,25,29)(H,27,28)/t17-,18-/m0/s1
InChI Key:
DJFBLEZGMXLMMR-ROUUACIJSA-N
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
444.19g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
444.484g/mol
Monoisotopic Mass:
444.19g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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