Products 159173-58-7

CAS 159173-58-7 is the registry number for AG8.0. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

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.

Identity
Molecular formulaC53H77N17O15S
Molecular weight1224.4 g/mol
IUPAC nameS-[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
InChIKeyPDULCVJGRVHRBX-XUTHUYCTSA-N
SMILESCC(=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

Computed by PubChem (NCBI)

Synonyms: orb3143395