[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

C65H70F2N16O11 — CID 118092519

IUPAC[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5cc(COC(=O)N(C)[C@H](C(=O)N6CCC[C@H]6c6ncc(-c7ccc(-c8ccc(N9C[C@H](Cn%10cc(CO)nn%10)OC9=O)cc8F)cc7)[nH]6)C(C)C)nn5)OC4=O)cc3F)cc2)[nH]1
InChIInChI=1S/C65H70F2N16O11/c1-36(2)56(72-62(87)88)60(85)80-22-6-8-54(80)58-68-26-52(70-58)40-14-10-38(11-15-40)49-21-19-45(25-51(49)67)83-33-47(94-65(83)91)31-79-29-43(74-76-79)35-92-63(89)77(5)57(37(3)4)61(86)81-23-7-9-55(81)59-69-27-53(71-59)41-16-12-39(13-17-41)48-20-18-44(24-50(48)66)82-32-46(93-64(82)90)30-78-28-42(34-84)73-75-78/h10-21,24-29,36-37,46-47,54-57,72,84H,6-9,22-23,30-35H2,1-5H3,(H,68,70)(H,69,71)(H,87,88)/t46-,47-,54-,55-,56-,57-/m0/s1
InChIKeyHOLLXEYIROLNKG-WNBAHSHYSA-N
MW1289.37 g/mol
LogP8.72
Rot. Bonds21

About [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (PubChem CID 118092519) has the molecular formula C65H70F2N16O11 and a molecular weight of 1289.37 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
PubChem CID118092519
Molecular FormulaC65H70F2N16O11
Molecular Weight1289.37 g/mol
Exact Mass1288.54
IUPAC Name[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid
SMILESCC(C)[C@H](NC(=O)O)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5cc(COC(=O)N(C)[C@H](C(=O)N6CCC[C@H]6c6ncc(-c7ccc(-c8ccc(N9C[C@H](Cn%10cc(CO)nn%10)OC9=O)cc8F)cc7)[nH]6)C(C)C)nn5)OC4=O)cc3F)cc2)[nH]1
InChIInChI=1S/C65H70F2N16O11/c1-36(2)56(72-62(87)88)60(85)80-22-6-8-54(80)58-68-26-52(70-58)40-14-10-38(11-15-40)49-21-19-45(25-51(49)67)83-33-47(94-65(83)91)31-79-29-43(74-76-79)35-92-63(89)77(5)57(37(3)4)61(86)81-23-7-9-55(81)59-69-27-53(71-59)41-16-12-39(13-17-41)48-20-18-44(24-50(48)66)82-32-46(93-64(82)90)30-78-28-42(34-84)73-75-78/h10-21,24-29,36-37,46-47,54-57,72,84H,6-9,22-23,30-35H2,1-5H3,(H,68,70)(H,69,71)(H,87,88)/t46-,47-,54-,55-,56-,57-/m0/s1
InChIKeyHOLLXEYIROLNKG-WNBAHSHYSA-N
XLogP8.72
TPSA317.58 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001289.37
LogP ≤ 58.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid (CID 118092519) is [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is CC(C)[C@H](NC(=O)O)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(N4C[C@H](Cn5cc(COC(=O)N(C)[C@H](C(=O)N6CCC[C@H]6c6ncc(-c7ccc(-c8ccc(N9C[C@H](Cn%10cc(CO)nn%10)OC9=O)cc8F)cc7)[nH]6)C(C)C)nn5)OC4=O)cc3F)cc2)[nH]1.
What is the InChIKey of [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
The InChIKey is HOLLXEYIROLNKG-WNBAHSHYSA-N. The full InChI is InChI=1S/C65H70F2N16O11/c1-36(2)56(72-62(87)88)60(85)80-22-6-8-54(80)58-68-26-52(70-58)40-14-10-38(11-15-40)49-21-19-45(25-51(49)67)83-33-47(94-65(83)91)31-79-29-43(74-76-79)35-92-63(89)77(5)57(37(3)4)61(86)81-23-7-9-55(81)59-69-27-53(71-59)41-16-12-39(13-17-41)48-20-18-44(24-50(48)66)82-32-46(93-64(82)90)30-78-28-42(34-84)73-75-78/h10-21,24-29,36-37,46-47,54-57,72,84H,6-9,22-23,30-35H2,1-5H3,(H,68,70)(H,69,71)(H,87,88)/t46-,47-,54-,55-,56-,57-/m0/s1.
What are the key properties of [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid?
[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid has a molecular weight of 1289.37 g/mol, XLogP of 8.72, 21 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-[[[(2S)-1-[(2S)-2-[5-[4-[2-fluoro-4-[(5R)-5-[[4-(hydroxymethyl)triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]triazol-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 118092519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).