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102639-04-3 | L-Phenylalanine, N-[[(1,1-dimethylethyl)amino]carbonyl]-
CAS No: 102639-04-3 Catalog No: AG0007ZP MDL No:
Product Description
Catalog Number:
AG0007ZP
Chemical Name:
L-Phenylalanine, N-[[(1,1-dimethylethyl)amino]carbonyl]-
CAS Number:
102639-04-3
Molecular Formula:
C14H20N2O3
Molecular Weight:
264.3202
IUPAC Name:
(2S)-2-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
InChI:
InChI=1S/C14H20N2O3/c1-14(2,3)16-13(19)15-11(12(17)18)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1
InChI Key:
ISBGFPVRVBCWAW-NSHDSACASA-N
SMILES:
OC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.325g/mol
Monoisotopic Mass:
264.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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