Products 1493768-22-1

CAS 1493768-22-1 appears in our catalog under these names: Velpatasvir Impurity 5, epi-Velpatasvir. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

Velpatasvir Impurity 5
Chemat Brand
  • size: on request
  • Variants: 1
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epi-Velpatasvir
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl N-[(1S)-2-[(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)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (CAS 1493768-22-1) is a chemical compound with the molecular formula C49H54N8O8 and a molecular weight of 883.0 g/mol. IUPAC name: methyl N-[(1S)-2-[(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)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate. InChIKey: FHCUMDQMBHQXKK-LPXUKQBVSA-N.

Identity
Molecular formulaC49H54N8O8
Molecular weight883.0 g/mol
IUPAC namemethyl N-[(1S)-2-[(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)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
InChIKeyFHCUMDQMBHQXKK-LPXUKQBVSA-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)[C@H](C9=CC=CC=C9)NC(=O)OC)COC

Computed by PubChem (NCBI)

Synonyms: epi-Velpatasvir
Related forms of this compound
methyl N-[(1R)-2-[(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)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate C49H54N8O8
methyl N-[(1R)-2-[(2S,4S)-4-(methoxymethyl)-2-[5-[6-[(2S,5S)-5-methyl-1-[(2S)-2,3,4,4,4-pentadeuterio-2-(methoxycarbonylamino)-3-(trideuteriomethyl)butanoyl]pyrrolidin-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]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate C49H54N8O8