chempirical

Prezatide copper acetate

C32H54CuN12O12CAS 130120-57-9862.40 g/mol

Open in Covalent MOL file
OOHOOHNHNOHNNH2OO−HNONH2NHNOHNNH2OO−HNONH2Cu2+
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C32H54CuN12O12
Molar mass
862.40 g/mol
Exact mass
861.3280 Da
logP
-6.30Crippen estimate
Polar surface area
432.7 Ų
H-bond donors / acceptors
12 / 16
Rotatable bonds
22
Stereocentres
S, S, S, Sin SMILES atom order

Identifiers

CAS number
130120-57-9
SMILES
CC(=O)O.CC(=O)O.C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)[O-])NC(=O)CN.C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)[O-])NC(=O)CN.[Cu+2]
InChIKey
LUNQZVCDZKODKF-PFVVTREHSA-L
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Prezatide copper acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-Lysine, glycyl-L-histidyl-, monoacetate72957-37-050 % similar Copper peptide ghk-cu49557-75-741 % similar Polaprezinc107667-60-737 % similar Sams peptide125911-68-437 % similar L-Lysine acetate57282-49-233 % similar Melanotan-II121062-08-633 % similar Bacitracin1405-87-433 % similar Carnosine305-84-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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