Products 2206660-94-6
CAS 2206660-94-6 is the registry number for Zopocianine, 98.12%. Offered by: MedChemExpress. Available pack sizes: 10 mg, 1 mg, 50 mg, 25 mg, 5 mg.
4-[(2E)-2-[(2E)-2-[2-[4-[(2S)-2-carboxy-2-[[(2S)-2-[3-[2-[2-[[(4S)-4-carboxy-4-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]ethyl]phenoxy]-3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate (CAS 2206660-94-6) is a chemical compound with the molecular formula C74H93N7O27S4 and a molecular weight of 1640.8 g/mol. IUPAC name: 4-[(2E)-2-[(2E)-2-[2-[4-[(2S)-2-carboxy-2-[[(2S)-2-[3-[2-[2-[[(4S)-4-carboxy-4-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]ethyl]phenoxy]-3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate. InChIKey: KPIFKEKRKCVGMU-HQOHQVRUSA-N.
| Molecular formula | C74H93N7O27S4 |
|---|---|
| Molecular weight | 1640.8 g/mol |
| IUPAC name | 4-[(2E)-2-[(2E)-2-[2-[4-[(2S)-2-carboxy-2-[[(2S)-2-[3-[2-[2-[[(4S)-4-carboxy-4-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]ethyl]phenoxy]-3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate |
| InChIKey | KPIFKEKRKCVGMU-HQOHQVRUSA-N |
| SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)OC6=CC=C(C=C6)C[C@@H](C(=O)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CCOCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCS(=O)(=O)O)C |
Computed by PubChem (NCBI)