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149673-08-5 | L-Phenylalanine, L-prolyl-, methyl ester, 2,2,2-trifluoroacetate (1:1)
CAS No: 149673-08-5 Catalog No: AG001LWX MDL No:
Product Description
Catalog Number:
AG001LWX
Chemical Name:
L-Phenylalanine, L-prolyl-, methyl ester, 2,2,2-trifluoroacetate (1:1)
CAS Number:
149673-08-5
Molecular Formula:
C17H21F3N2O5
Molecular Weight:
390.3542
IUPAC Name:
methyl (2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C15H20N2O3.C2HF3O2/c1-20-15(19)13(10-11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-12;3-2(4,5)1(6)7/h2-4,6-7,12-13,16H,5,8-10H2,1H3,(H,17,18);(H,6,7)/t12-,13-;/m0./s1
InChI Key:
QIIYNVMAHMMFJL-QNTKWALQSA-N
SMILES:
OC(=O)C(F)(F)F.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
390.14g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
390.359g/mol
Monoisotopic Mass:
390.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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