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2D Structure
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

2D Structure

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 Weight 862.4 g/mol
Molecular Formula C32H54CuN12O12
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count18
Rotatable Bond Count20
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area433
Heavy Atom Count57
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5