Velpatasvir Impurity 3

cas: 1378391-45-7 — see every product listed under this CAS number, including other names

Velpatasvir Impurity 3 (CAS 1378391-45-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberAO-V0034.03
cas1378391-45-7
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Structural formula: {0} (CAS {1})

Tert-butyl (2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate (CAS 1378391-45-7) is a chemical compound with the molecular formula C44H53N7O7 and a molecular weight of 791.9 g/mol. IUPAC name: tert-butyl (2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate. InChIKey: DMFDIPBYFDWGGH-FABOOFKTSA-N.

Identity
Molecular formulaC44H53N7O7
Molecular weight791.9 g/mol
IUPAC nametert-butyl (2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate
InChIKeyDMFDIPBYFDWGGH-FABOOFKTSA-N
SMILESC[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)OC(C)(C)C)COC

Computed by PubChem (NCBI)

Synonyms: Boc Velpatasvir R, R Isomer (Imidazole and Methoxy Methyl)

Also listed as

Velpatasvir Impurity 4 Hubei YoungXin CAS 1378391-45-7
(2S,4S)-tert-Butyl 2-(5-(2-((2S,5S)-1-((S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochro meno(4',3':6,7)naphtho(1,2-d)imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate Biosynth CAS 1378391-45-7
(2S,4S)-tert-Butyl 2-(5-(2-((2S,5S)-1-((S)-2-((methoxycarbonyl)amino)-3-methylbutanoyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate, 95%, 95% Chemat CAS 1378391-45-7