2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid

C108H128Cl8F4N4O24S4 — CID 159759177

IUPAC2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
SMILESCC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1.CC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)C1c1ccc(Cl)c(F)c1.CC(C)[C@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1.CC(C)[C@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/4C27H32Cl2FNO6S/c4*1-15(2)21(14-38(35,36)27(3,4)5)31-24(16-9-10-19(29)20(30)12-16)25(17-7-6-8-18(28)11-17)37-22(26(31)34)13-23(32)33/h4*6-12,15,21-22,24-25H,13-14H2,1-5H3,(H,32,33)/t21-,22+,24?,25-;21-,22+,24+,25+;21-,22-,24+,25+;21-,22-,24-,25-/m1001/s1
InChIKeyNEQRAKDCPWNFPE-WEQMZERYSA-N
MW2354.10 g/mol
LogP23.42
Rot. Bonds32

About 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid

2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid (PubChem CID 159759177) has the molecular formula C108H128Cl8F4N4O24S4 and a molecular weight of 2354.10 g/mol. Its IUPAC name is 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
PubChem CID159759177
Molecular FormulaC108H128Cl8F4N4O24S4
Molecular Weight2354.10 g/mol
Exact Mass2348.52
IUPAC Name2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
SMILESCC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1.CC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)C1c1ccc(Cl)c(F)c1.CC(C)[C@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1.CC(C)[C@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/4C27H32Cl2FNO6S/c4*1-15(2)21(14-38(35,36)27(3,4)5)31-24(16-9-10-19(29)20(30)12-16)25(17-7-6-8-18(28)11-17)37-22(26(31)34)13-23(32)33/h4*6-12,15,21-22,24-25H,13-14H2,1-5H3,(H,32,33)/t21-,22+,24?,25-;21-,22+,24+,25+;21-,22-,24+,25+;21-,22-,24-,25-/m1001/s1
InChIKeyNEQRAKDCPWNFPE-WEQMZERYSA-N
XLogP23.42
TPSA403.92 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002354.10
LogP ≤ 523.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid with MolForge

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Related Compounds

2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 89490541
2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-4,4,4-trifluorobutan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 89490573
2-[(2R,5R,6R)-4-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 71544420
2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonylbutan-2-yl]-5-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonylbutan-2-yl]-5-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 157246805
2-[(2S,5R,6R)-4-[(1S)-2-tert-butylsulfonyl-1-cyclobutylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 71544026
2-[2-(carboxymethyl)-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-4-yl]butane-1-sulfinate
CID 123860586
2-[(2S,5R,6R)-4-[(2R,3R)-2-tert-butylsulfonylpentan-3-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R,3R)-2-tert-butylsulfonylpentan-3-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2S,3R)-2-tert-butylsulfonylpentan-3-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S,3R)-2-tert-butylsulfonylpentan-3-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;methane
CID 159583967
2-[(2S,5R,6R)-4-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-6-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 89490608
2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxo-4-[(2R,3S)-2-propan-2-ylsulfonylpentan-3-yl]morpholin-2-yl]acetic acid
CID 89490932
2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-(2,2-dimethylpropylsulfonyl)butan-2-yl]-3-oxomorpholin-2-yl]acetic acid
CID 89490796
2-[4-(1-tert-butylsulfonyl-4,4,4-trifluorobutan-2-yl)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetamide
CID 123703856
2-[(2R,5R,6R)-4-[(2S)-1-[(2S)-butan-2-yl]sulfonylbutan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
CID 89490857

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid (CID 159759177) is 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid is CC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1.CC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)C1c1ccc(Cl)c(F)c1.CC(C)[C@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1.CC(C)[C@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@H](CC(=O)O)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is NEQRAKDCPWNFPE-WEQMZERYSA-N. The full InChI is InChI=1S/4C27H32Cl2FNO6S/c4*1-15(2)21(14-38(35,36)27(3,4)5)31-24(16-9-10-19(29)20(30)12-16)25(17-7-6-8-18(28)11-17)37-22(26(31)34)13-23(32)33/h4*6-12,15,21-22,24-25H,13-14H2,1-5H3,(H,32,33)/t21-,22+,24?,25-;21-,22+,24+,25+;21-,22-,24+,25+;21-,22-,24-,25-/m1001/s1.
What are the key properties of 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid?
2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 2354.10 g/mol, XLogP of 23.42, 32 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2S)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2S,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid;2-[(2R,5R,6R)-4-[(2R)-1-tert-butylsulfonyl-3-methylbutan-2-yl]-5-(4-chloro-3-fluorophenyl)-6-(3-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 159759177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).