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2768-53-8 | L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-alanyl-
CAS No: 2768-53-8 Catalog No: AG002UF9 MDL No:MFCD00020425
Product Description
Catalog Number:
AG002UF9
Chemical Name:
L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-L-alanyl-
CAS Number:
2768-53-8
Molecular Formula:
C20H22N2O5
Molecular Weight:
370.3991
MDL Number:
MFCD00020425
IUPAC Name:
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C20H22N2O5/c1-14(21-20(26)27-13-16-10-6-3-7-11-16)18(23)22-17(19(24)25)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,17-/m0/s1
InChI Key:
BVNXQVWGWUHKMK-YOEHRIQHSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)OCc1ccccc1
EC Number:
220-454-5
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
370.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
370.405g/mol
Monoisotopic Mass:
370.153g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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