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Chemistry

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Also known as: Pegunigalsidase-alfa, Q27270744
Molecular Formula
C24H44N6O9
Molecular Weight
560.6  g/mol
InChI Key
CQPWQUAJPPFCDP-ROUUACIJSA-N

Pegunigalsidase alfa
Pegunigalsidase alfa is under investigation in clinical trial NCT02921620 (Study to Evaluate the Safety and EffIcacy of PRX-102 on Gastrointestinal Symptoms in Nave Fabry Disease).
1 2D Structure

Pegunigalsidase alfa

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-amino-6-[[4-[2-[2-[[4-[[(5S)-5-amino-5-carboxypentyl]amino]-4-oxobutanoyl]amino]ethoxy]ethylamino]-4-oxobutanoyl]amino]hexanoic acid
2.1.2 InChI
InChI=1S/C24H44N6O9/c25-17(23(35)36)5-1-3-11-27-19(31)7-9-21(33)29-13-15-39-16-14-30-22(34)10-8-20(32)28-12-4-2-6-18(26)24(37)38/h17-18H,1-16,25-26H2,(H,27,31)(H,28,32)(H,29,33)(H,30,34)(H,35,36)(H,37,38)/t17-,18-/m0/s1
2.1.3 InChI Key
CQPWQUAJPPFCDP-ROUUACIJSA-N
2.1.4 Canonical SMILES
C(CCNC(=O)CCC(=O)NCCOCCNC(=O)CCC(=O)NCCCCC(C(=O)O)N)CC(C(=O)O)N
2.1.5 Isomeric SMILES
C(CCNC(=O)CCC(=O)NCCOCCNC(=O)CCC(=O)NCCCC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Pegunigalsidase-alfa

2. Q27270744

2.3 Create Date
2016-08-16
3 Chemical and Physical Properties
Molecular Weight 560.6 g/mol
Molecular Formula C24H44N6O9
XLogP3-8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count24
Exact Mass560.31697700 g/mol
Monoisotopic Mass560.31697700 g/mol
Topological Polar Surface Area252 Ų
Heavy Atom Count39
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of Fabry disease


5 Pharmacology and Biochemistry
5.1 ATC Code

A - Alimentary tract and metabolism

A16 - Other alimentary tract and metabolism products

A16A - Other alimentary tract and metabolism products

A16AB - Enzymes

A16AB20 - Pegunigalsidase alfa


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