Prezatide copper acetate

C32H54CuN12O12CAS 130120-57-9862.40 g/mol

Open in Covalent MOL file
OOHOOHNHNONHH2NOO−NHONH2NHNONHH2NOO−NHONH2Cu2+
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

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetic acid64-19-7Free acid Copper peptide ghk-cu49557-75-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt

Similar compounds

Acetyl tetrapeptide-3827306-88-754 % similar Pal-tripeptide-1147732-56-754 % similar Beta-alanylhistidine9001-99-445 % similar Acetyl tetrapeptide-5820959-17-942 % similar Ipamorelin170851-70-442 % similar Palmitoyl tripeptide-8936544-53-540 % similar GEKG peptide960608-17-740 % similar N-Acetylhistidine monohydrate39145-52-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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