Products 1416080-97-1
CAS 1416080-97-1 is the registry number for LE 28. Offered by: MedChemExpress. Available pack sizes: Get quote.
1-[6-[[(2S)-1-[(2S)-2-[[(2S)-4-[4-[3-[[1-[2-[3,6-bis(2,3-dihydroindol-1-yl)xanthen-10-ium-9-yl]phenyl]sulfonylpiperidine-4-carbonyl]amino]propylcarbamoyl]-2,6-dimethylbenzoyl]oxy-1-carboxy-3-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-6-oxohexyl]-2-[(1E,3E,5Z)-5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate (CAS 1416080-97-1) is a chemical compound with the molecular formula C102H111N10O21S3+ and a molecular weight of 1909.2 g/mol. IUPAC name: 1-[6-[[(2S)-1-[(2S)-2-[[(2S)-4-[4-[3-[[1-[2-[3,6-bis(2,3-dihydroindol-1-yl)xanthen-10-ium-9-yl]phenyl]sulfonylpiperidine-4-carbonyl]amino]propylcarbamoyl]-2,6-dimethylbenzoyl]oxy-1-carboxy-3-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-6-oxohexyl]-2-[(1E,3E,5Z)-5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate. InChIKey: NBKLIRAPFKTQDD-IYUQAZOKSA-O.
| Molecular formula | C102H111N10O21S3+ |
|---|---|
| Molecular weight | 1909.2 g/mol |
| IUPAC name | 1-[6-[[(2S)-1-[(2S)-2-[[(2S)-4-[4-[3-[[1-[2-[3,6-bis(2,3-dihydroindol-1-yl)xanthen-10-ium-9-yl]phenyl]sulfonylpiperidine-4-carbonyl]amino]propylcarbamoyl]-2,6-dimethylbenzoyl]oxy-1-carboxy-3-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-6-oxohexyl]-2-[(1E,3E,5Z)-5-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate |
| InChIKey | NBKLIRAPFKTQDD-IYUQAZOKSA-O |
| SMILES | CCN\1C2=C(C=C(C=C2)S(=O)(=O)O)C(/C1=C/C=C/C=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)C6=C(C=C(C=C6C)C(=O)NCCCNC(=O)C7CCN(CC7)S(=O)(=O)C8=CC=CC=C8C9=C1C=CC(=CC1=[O+]C1=C9C=CC(=C1)N1CCC2=CC=CC=C21)N1CCC2=CC=CC=C21)C)(C)C |
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