Metabolite DACH platinum cysteine

Name
DACH platinum cysteine
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 549.57
Monoisotopic: 549.10434
Chemical Formula
C12H26N4O4PtS2
InChI Key
PEQPRBOFMHWVLU-SKSSAGQDSA-L
InChI
InChI=1S/C6H14N2.2C3H7NO2S.Pt/c7-5-3-1-2-4-6(5)8;2*4-2(1-7)3(5)6;/h5-6H,1-4,7-8H2;2*2,7H,1,4H2,(H,5,6);/q;;;+2/p-2/t5-,6-;;;/m1.../s1
IUPAC Name
3-{[(3aR,7aR)-2-[(2-amino-2-carboxyethyl)sulfanyl]-octahydrocyclohexa[d]1,3-diaza-2-platinacyclopentan-2-yl]sulfanyl}-2-aminopropanoic acid
SMILES
[H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]1(SCC(N)C(O)=O)SCC(N)C(O)=O
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Not Available
Predicted Properties
PropertyValueSource
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area159.86 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity109.81 m3·mol-1Chemaxon
Polarizability38.71 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon