N–(1,3–bis((4,5,6–trihydroxy–2–(hydroxymethyl)tetrahydro–2H–pyran–3–yl)oxy)propan–2–yl)–2–((10,17–dioxo–21–(2–oxohexahydro–1H–thieno(3,4–d)imidazol–4–yl)–3,6–dioxa–9,16–diazahenicosyl)oxy)–4–(3–(trifluoromethyl)–3H–diazirin–3–yl)benzamide

cas: 207971-25-3 — see every product listed under this CAS number, including other names

N–(1,3–bis((4,5,6–trihydroxy–2–(hydroxymethyl)tetrahydro–2H–pyran–3–yl)oxy)propan–2–yl)–2–((10,17–dioxo–21–(2–oxohexahydro–1H–thieno(3,4–d)imidazol–4–yl)–3,6–dioxa–9,16–diazahenicosyl)oxy)–4–(3–(trifluoromethyl)–3H–diazirin–3–yl)benzamide (CAS 207971-25-3) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: GLPBio.

brandGLPBio
catalog numberGB59742-1
cas207971-25-3
size1mg
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Structural formula: {0} (CAS {1})

N-[1,3-bis[[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy]propan-2-yl]-2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide (CAS 207971-25-3) is a chemical compound with the molecular formula C46H70F3N7O19S and a molecular weight of 1114.1 g/mol. IUPAC name: N-[1,3-bis[[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy]propan-2-yl]-2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide. InChIKey: LAPBPDOPZPGXFE-IUMQPKKASA-N.

Identity
Molecular formulaC46H70F3N7O19S
Molecular weight1114.1 g/mol
IUPAC nameN-[1,3-bis[[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy]propan-2-yl]-2-[2-[2-[2-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
InChIKeyLAPBPDOPZPGXFE-IUMQPKKASA-N
SMILESC1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCOCCOCCOC3=C(C=CC(=C3)C4(N=N4)C(F)(F)F)C(=O)NC(CO[C@@H]5[C@H](OC([C@H]([C@H]5O)O)O)CO)CO[C@@H]6[C@H](OC([C@H]([C@H]6O)O)O)CO)NC(=O)N2

Computed by PubChem (NCBI)

Synonyms: PEG-biotincap-ATB-BMPA, LAPBPDOPZPGXFE-IUMQPKKASA-N
Isomers (same molecular formula)
2-[2-[2-[2-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]-N-[1,3-bis[[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide C46H70F3N7O19S

Also listed as

N-(2-(2-(2-((N-Biotinyl-caproylamino)-ethoxy)ethoxyl)-4-(2-(trifluoromethyl)-3H-diazirin-3-yl)benzoyl)-1,3-bis(mannopyranosyl-4-yloxy)-2-propylamine, >95% (HPLC) TRC CAS 207971-25-3