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113719-22-5 | L-Phenylalaninamide, L-alanyl-N-(1-phosphonoethyl)-, (R)- (9CI)
CAS No: 113719-22-5 Catalog No: AG0009GK MDL No:
Product Description
Catalog Number:
AG0009GK
Chemical Name:
L-Phenylalaninamide, L-alanyl-N-(1-phosphonoethyl)-, (R)- (9CI)
CAS Number:
113719-22-5
Molecular Formula:
C14H22N3O5P
Molecular Weight:
343.3153
IUPAC Name:
1-[[2-(2-aminopropanoylamino)-3-phenylpropanoyl]amino]ethylphosphonic acid
InChI:
InChI=1S/C14H22N3O5P/c1-9(15)13(18)17-12(8-11-6-4-3-5-7-11)14(19)16-10(2)23(20,21)22/h3-7,9-10,12H,8,15H2,1-2H3,(H,16,19)(H,17,18)(H2,20,21,22)
InChI Key:
ASCIZDCZYMLZFB-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)N[C@@H](C(=O)NC(P(=O)(O)O)C)Cc1ccccc1)N
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.13g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
343.32g/mol
Monoisotopic Mass:
343.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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