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Lisinopril EP Impurity G (Dimer Impurity)

CAT: 1596-AR-L01753-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01753-01Size:50 Units
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CAS Number
1356839-89-8
Synonyms
(S) -1- ((S) -6- ((S) -2- (((S) -6-amino-1- ((S) -2-carboxypyrrolidin-1-yl) -1-oxohexan-2-yl) amino) -4-phenylbutanamido) -2- (((S) -1-carboxy-3-phenylpropyl) amino) hexanoyl) pyrrolidine-2-carboxylicacid; (S) -Lisinopril Dimer
Molecular Formula
C42H60N6O9
Molecular Weight
792.98
API Name
Lisinopril

Chemical Information

(S)-Lisinopril Dimer
CAS Number1356839-89-8
PubChem CID131667858
IUPAC Name(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[[(5S)-5-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-[(2S)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]amino]-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC42H60N6O9
Molecular Weight793.0
XLogP-3.1
Topological Polar Surface Area232
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count25
Heavy Atom Count57
Formal Charge0
Complexity1310
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)NCCCC[C@@H](C(=O)N3CCC[C@H]3C(=O)O)N[C@@H](CCC4=CC=CC=C4)C(=O)O)C(=O)O
InChI
InChI=1S/C42H60N6O9/c43-25-9-7-17-32(38(50)47-27-11-19-35(47)41(54)55)45-31(23-21-29-13-3-1-4-14-29)37(49)44-26-10-8-18-33(39(51)48-28-12-20-36(48)42(56)57)46-34(40(52)53)24-22-30-15-5-2-6-16-30/h1-6,13-16,31-36,45-46H,7-12,17-28,43H2,(H,44,49)(H,52,53)(H,54,55)(H,56,57)/t31-,32-,33-,34-,35-,36-/m0/s1
InChIKey
HLRMNXJOFRUYAM-NGTAMTFRSA-N
Chemical Structure
2D Structure
2D structure of (S)-Lisinopril Dimer
CAS: 1356839-89-8
CID: 131667858
Formula: C42H60N6O9
MW: 793.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight793.0
XLogP3-3.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count25
Exact Mass792.44217751
Monoisotopic Mass792.44217751
Topological Polar Surface Area232 Ų
Heavy Atom Count57
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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