Products 3031522-14-9
CAS 3031522-14-9 is the registry number for HB-230. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2E)-1-[6-[[(3S)-3-[[(E,2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-7-(dimethylamino)-7-oxohept-5-enoyl]amino]-4-[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutyl]amino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate (CAS 3031522-14-9) is a chemical compound with the molecular formula C66H86N10O14S2 and a molecular weight of 1307.6 g/mol. IUPAC name: (2E)-1-[6-[[(3S)-3-[[(E,2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-7-(dimethylamino)-7-oxohept-5-enoyl]amino]-4-[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutyl]amino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate. InChIKey: ILCHGSXJNAIGGG-AFAVFPMXSA-N.
| Molecular formula | C66H86N10O14S2 |
|---|---|
| Molecular weight | 1307.6 g/mol |
| IUPAC name | (2E)-1-[6-[[(3S)-3-[[(E,2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-7-(dimethylamino)-7-oxohept-5-enoyl]amino]-4-[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutyl]amino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate |
| InChIKey | ILCHGSXJNAIGGG-AFAVFPMXSA-N |
| SMILES | CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC/C=C/C(=O)N(C)C)C(=O)N[C@@H](CCNC(=O)CCCCCN\2C3=C(C=C(C=C3)S(=O)(=O)[O-])C(/C2=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C=C(C=C5)S(=O)(=O)O)C)(C)C)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N |
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