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Liraglutide Impurity 43

CAT: 1299-RM-L090143-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L090143-01Size:10 mg
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CAS Number
1082989-02-3
Synonyms
(((9H-fluoren-9-yl) methoxy) carbonyl) -L-methionyl-L-phenylalanine
Molecular Formula
C29H30N2O5S
Molecular Weight
518.63
Target Alternative Name
Liraglutide
Product Name Synonym
(((9H-fluoren-9-yl) methoxy) carbonyl) -L-methionyl-L-phenylalanine

Chemical Information

Liraglutide Impurity 43
CAS Number1082989-02-3
PubChem CID93478129
IUPAC Name(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC29H30N2O5S
Molecular Weight518.6
XLogP5
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity751
SMILES
CSCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C29H30N2O5S/c1-37-16-15-25(27(32)30-26(28(33)34)17-19-9-3-2-4-10-19)31-29(35)36-18-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,24-26H,15-18H2,1H3,(H,30,32)(H,31,35)(H,33,34)/t25-,26-/m0/s1
InChIKey
NNNSNHRFMYPCSF-UIOOFZCWSA-N
Chemical Structure
2D Structure
2D structure of Liraglutide Impurity 43
CAS: 1082989-02-3
CID: 93478129
Formula: C29H30N2O5S
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass518.18754324
Monoisotopic Mass518.18754324
Topological Polar Surface Area130 Ų
Heavy Atom Count37
Formal Charge0
Complexity751
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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