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131980-30-8 | L-Phenylalanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 131980-30-8 Catalog No: AG00100A MDL No:MFCD00797560
Product Description
Catalog Number:
AG00100A
Chemical Name:
L-Phenylalanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
131980-30-8
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
MDL Number:
MFCD00797560
IUPAC Name:
(2S)-3-(3-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-5-4-6-11(7-10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChI Key:
FDQDHMZKOPOWFE-LBPRGKRZSA-N
SMILES:
N#Cc1cccc(c1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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