Metabolite DACH platinum bis(GSH) complex
- Name
- DACH platinum bis(GSH) complex
- Description
- Not Available
- Structure
Structure for DACH platinum bis(GSH) complex
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 921.9
Monoisotopic: 921.232453 - Chemical Formula
- C26H46N8O12PtS2
- InChI Key
- NTHPXJSRBUYNJF-BLUNCNMSSA-L
- InChI
- InChI=1S/2C10H17N3O6S.C6H14N2.Pt/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;7-5-3-1-2-4-6(5)8;/h2*5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);5-6H,1-4,7-8H2;/q;;;+2/p-2/t;;5-,6-;/m..1./s1
- IUPAC Name
- 4-[(2-{[(3aR,7aR)-2-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-octahydrocyclohexa[d]1,3-diaza-2-platinacyclopentan-2-yl]sulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl)carbamoyl]-2-aminobutanoic acid
- SMILES
- [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]1(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 350.86 Å2 Chemaxon Rotatable Bond Count 22 Chemaxon Refractivity 191.59 m3·mol-1 Chemaxon Polarizability 73.05 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon