Products 2055896-95-0
CAS 2055896-95-0 appears in our catalog under these names: MC-Val-Cit-PAB-Indibulin, 95.82%, MC-Val-Cit-PAB-Indibulin, 97.39%. Offered by: MedChemExpress, Chemat. Available pack sizes: 25 mg, 10 mg, 5 mg, 50 mg, 100 mg, 1mg, 5mg, 10mg.
N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridin-1-ium-1-yl]methyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide (CAS 2055896-95-0) is a chemical compound with the molecular formula C50H55ClN9O8+ and a molecular weight of 945.5 g/mol. IUPAC name: N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridin-1-ium-1-yl]methyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide. InChIKey: QLPCKALAMKCOEG-FQDNZFBXSA-O.
| Molecular formula | C50H55ClN9O8+ |
|---|---|
| Molecular weight | 945.5 g/mol |
| IUPAC name | N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]pyridin-1-ium-1-yl]methyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide |
| InChIKey | QLPCKALAMKCOEG-FQDNZFBXSA-O |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)C[N+]2=CC=C(C=C2)NC(=O)C(=O)C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)NC(=O)CCCCCN6C(=O)C=CC6=O |
Computed by PubChem (NCBI)
Synonyms:
MC-Val-Cit-PAB-indibulin