CAS 159173-58-7 is the registry number for AG8.0. Offered by: MedChemExpress. Available pack sizes: Get quote.
S-[2-[[2-[[2-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-amino-6-[[2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-6-[[2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl] ethanethioate (CAS 159173-58-7) is a chemical compound with the molecular formula C53H77N17O15S and a molecular weight of 1224.4 g/mol. IUPAC name: S-[2-[[2-[[2-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-amino-6-[[2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-6-[[2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl] ethanethioate. InChIKey: PDULCVJGRVHRBX-XUTHUYCTSA-N.
| Molecular formula | C53H77N17O15S |
|---|---|
| Molecular weight | 1224.4 g/mol |
| IUPAC name | S-[2-[[2-[[2-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-amino-6-[[2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-6-[[2-[[4-[2-(1H-imidazol-5-yl)ethylamino]-4-oxobutanoyl]amino]acetyl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl] ethanethioate |
| InChIKey | PDULCVJGRVHRBX-XUTHUYCTSA-N |
| SMILES | CC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CCC(=O)NCCC1=CN=CN1)C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCNC(=O)CNC(=O)CCC(=O)NCCC3=CN=CN3)C(=O)N |
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