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127852-94-2 | D-Leucine, N-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-, methyl ester
CAS No: 127852-94-2 Catalog No: AG000XGS MDL No:
Product Description
Catalog Number:
AG000XGS
Chemical Name:
D-Leucine, N-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-, methyl ester
CAS Number:
127852-94-2
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
IUPAC Name:
methyl (2R)-4-methyl-2-(3-phenylprop-2-enoylamino)pentanoate
InChI:
InChI=1S/C16H21NO3/c1-12(2)11-14(16(19)20-3)17-15(18)10-9-13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3,(H,17,18)/t14-/m1/s1
InChI Key:
OXFYLVKTVPTJPQ-CQSZACIVSA-N
SMILES:
COC(=O)[C@H](NC(=O)/C=C/c1ccccc1)CC(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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