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101399-39-7 | Phenylalanine, N-(4-aminobenzoyl)-
CAS No: 101399-39-7 Catalog No: AG0004DT MDL No:
Product Description
Catalog Number:
AG0004DT
Chemical Name:
Phenylalanine, N-(4-aminobenzoyl)-
CAS Number:
101399-39-7
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
2-[(4-aminobenzoyl)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C16H16N2O3/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10,17H2,(H,18,19)(H,20,21)
InChI Key:
RZHDOMOYHYFIEJ-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NC(=O)c1ccc(cc1)N)Cc1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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