4-Epi-ritonavir

cas: 1414933-81-5 — see every product listed under this CAS number, including other names

4-Epi-ritonavir (CAS 1414933-81-5) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberPGC93381-10mg
cas1414933-81-5
size10mg
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properties

categoryLife Sciences
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

1,3-thiazol-5-ylmethyl N-[(2S,3R,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate (CAS 1414933-81-5) is a chemical compound with the molecular formula C37H48N6O5S2 and a molecular weight of 720.9 g/mol. IUPAC name: 1,3-thiazol-5-ylmethyl N-[(2S,3R,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate. InChIKey: NCDNCNXCDXHOMX-RACJEYCXSA-N.

Identity
Molecular formulaC37H48N6O5S2
Molecular weight720.9 g/mol
IUPAC name1,3-thiazol-5-ylmethyl N-[(2S,3R,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
InChIKeyNCDNCNXCDXHOMX-RACJEYCXSA-N
SMILESCC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

Computed by PubChem (NCBI)

Synonyms: Ritonavir (3R)-hydroxy epimer, Ritonavir EP Impurity O, 4-epi-Ritonavir, Ritonavir 3-epimer, Ritonavir specified impurity O [EP], Ritonavir impurity, 3-epimer- [USP], RITONAVIR IMPURITY O [EP IMPURITY]
Related forms of this compound
1,3-thiazol-5-ylmethyl N-[(2R,3R,5R)-3-hydroxy-5-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate C37H48N6O5S2
1,3-thiazol-5-ylmethyl N-[(2S,3R,5R)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate C37H48N6O5S2
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate C37H48N6O5S2
1,3-thiazol-5-ylmethyl N-[(2S,3S,5R)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate C37H48N6O5S2
(4,5-13C2)1,3-thiazol-5-yl(113C)methyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate C37H48N6O5S2
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[[2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate C37H48N6O5S2
Isomers (same molecular formula)
1,3-thiazol-5-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate C37H48N6O5S2
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate C37H48N6O5S2
[(2S,3S,5S)-5-amino-1,6-diphenyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-3-yl] (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate C37H48N6O5S2

Also listed as

Ritonavir EP Impurity O Chemat Brand CAS 1414933-81-5
Ritonavir Impurity 15（Ritonavir EP Impurity O） Hubei YoungXin CAS 1414933-81-5
Thiazol-5-ylmethyl ((2S,3R,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate, 98% Chemat Brand CAS 1414933-81-5
4-epi-Ritonavir, >95% (HPLC) TRC CAS 1414933-81-5