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23631-89-2 | L-Alanine, N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-
CAS No: 23631-89-2 Catalog No: AG002NZH MDL No:
Product Description
Catalog Number:
AG002NZH
Chemical Name:
L-Alanine, N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-
CAS Number:
23631-89-2
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
IUPAC Name:
(2S)-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]propanoic acid
InChI:
InChI=1S/C19H21NO4/c1-13(17(21)22)20-18(23)24-19(2,3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChI Key:
IZBDJSRNVBUKTE-ZDUSSCGKSA-N
SMILES:
C[C@@H](C(=O)O)NC(=O)OC(c1ccc(cc1)c1ccccc1)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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