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(R)-Lisinopril Sodium Salt

CAS No.:
85955-59-5
Catalog Number:
AG008FZO
Molecular Formula:
C21H31N3O5
Molecular Weight:
405.4879
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Product Description
Catalog Number:
AG008FZO
Chemical Name:
(R)-Lisinopril Sodium Salt
CAS Number:
85955-59-5
Molecular Formula:
C21H31N3O5
Molecular Weight:
405.4879
MDL Number:
MFCD09952235
IUPAC Name:
(2S)-1-[(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17+,18-/m0/s1
InChI Key:
RLAWWYSOJDYHDC-KSZLIROESA-N
SMILES:
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](C(=O)O)CCc1ccccc1
UNII:
5W66M58H0T
Properties
Complexity:
550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
405.226g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
405.495g/mol
Monoisotopic Mass:
405.226g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9  
Properties