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Also known as: Iamin, Pc1020 acetate, A3lei4p1nb, Pc-1020 acetate, Dtxsid00156359, Pc-1020

Molecular Formula

C₃₂H₅₄CuN₁₂O₁₂

Molecular Weight

862.4 g/mol

InChI Key

LUNQZVCDZKODKF-PFVVTREHSA-L

1 2D Structure

Prezatide Copper Acetate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

copper;acetic acid;bis((2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate)

2.1.2 InChI

InChI=1S/2C14H24N6O4.2C2H4O2.Cu/c2*15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;2*1-2(3)4;/h2*7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);2*1H3,(H,3,4);/q;;;;+2/p-2/t2*10-,11-;;;/m00.../s1

2.1.3 InChI Key

LUNQZVCDZKODKF-PFVVTREHSA-L

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Iamin

2.2.2 Depositor-Supplied Synonyms

1. Iamin

2. Pc1020 Acetate

3. A3lei4p1nb

4. Pc-1020 Acetate

5. Dtxsid00156359

6. Pc-1020

7. Bis(tripeptide-1) Copper Acetate

8. Prezatidi Cuprici Acetas

9. Refchem:175996

10. Acetate De Prezatide Cuprique

11. Acetato De Prezatida De Cobre

12. Dtxcid7078850

13. 130120-57-9

14. Q27273588

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₅₄CuN₁₂O₁₂
Molecular Weight	862.4 g/mol
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	20
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	433
Heavy Atom Count	57
Formal Charge	0
Complexity	459
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5

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