Ruzasvir
methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Identity
Ruzasvir
methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID: 91936863
2D Structure
Properties
C49H55FN10O7S
Molecular Formula
947.10
Molecular Weight
g/mol
946.3960
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
230
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
1840
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C(=CC(=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)F)C9=CN=C(S9)C1CC1)NC(=O)OCIsomeric SMILES
SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C5=C4)C(=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)F)C9=CN=C(S9)C1CC1)NC(=O)OCSynonyms(20)
Ruzasvir1613081-64-3MK-8408LX752BD95YCarbamic acid, N,N'-(((6S)-6-(2-cyclopropyl-5-thiazolyl)-1-fluoro-6H-indolo(1,2-C)(1,3)benzoxazine-3,10-diyl)bis(1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl)))bis-, C,C'-dimethyl estermethyl N-[(2S)-1-[(2S)-2-[5-[(6S)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamateruzasvirummethyl N-((2S)-1-((2S)-2-(5-((6S)-6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-3-(2-((2S)-1-((2S)-2-(methoxycarbonylamino)-3-methylbutanoyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-indolo(1,2-c)(1,3)benzoxazin-10-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamateRefChem:884061Carbamic acid, N,N'-(((6S)-6-(2-cyclopropyl-5-thiazolyl)-1-fluoro-6H-indolo(1,2-c)(1,3)benzoxazine-3,10-diyl)bis(1H-imidazole-5,2-diyl(2S)-2,1-pyrrolidinediyl((1S)-1-(1-methylethyl)-2-oxo-2,1-ethanedi yl)))bis-, dimethyl esterRuzasvir [USAN:INN]UNII-LX752BD95YRUZASVIR [USAN]Ruzasvir (USAN/INN)RUZASVIR [INN]
Data from PubChem (NCBI)
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