HB-230

cas: 3031522-14-9 — see every product listed under this CAS number, including other names

HB-230 (CAS 3031522-14-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas3031522-14-9
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Structural formula: {0} (CAS {1})

(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.

Identity
Molecular formulaC66H86N10O14S2
Molecular weight1307.6 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
InChIKeyILCHGSXJNAIGGG-AFAVFPMXSA-N
SMILESCC(=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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