4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate

C208H253Cl6F2I2N6O41P7 — CID 157337104

IUPAC4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(Cc2ccc(O)c(C(C)CC)c2)c(C)c1)N[C@@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(Cl)c(Cc2ccc(O)c(C(C)C)c2)c(Cl)c1)N[C@@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(I)c(Cc2ccc(O)c(C(C)C)c2)c(I)c1)N[C@@H](C)C(=O)OCC.Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OC[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/2C32H31ClFO5P.2C30H36ClO5P.C30H45N2O7P.C27H37Cl2N2O7P.C27H37I2N2O7P/c2*1-21-14-29(37-20-40(36)38-13-12-32(39-40)25-4-3-5-27(33)19-25)15-22(2)30(21)18-24-8-11-31(35)26(17-24)16-23-6-9-28(34)10-7-23;2*1-19(2)26-14-22(10-11-28(26)32)15-27-20(3)12-25(13-21(27)4)34-18-37(33)35-29(17-30(5,6)36-37)23-8-7-9-24(31)16-23;1-9-19(4)27-17-24(12-13-28(27)33)16-26-20(5)14-25(15-21(26)6)39-18-40(36,31-22(7)29(34)37-10-2)32-23(8)30(35)38-11-3;2*1-7-36-26(33)17(5)30-39(35,31-18(6)27(34)37-8-2)15-38-20-13-23(28)22(24(29)14-20)12-19-9-10-25(32)21(11-19)16(3)4/h2*3-11,14-15,17,19,32,35H,12-13,16,18,20H2,1-2H3;2*7-14,16,19,29,32H,15,17-18H2,1-6H3;12-15,17,19,22-23,33H,9-11,16,18H2,1-8H3,(H2,31,32,36);2*9-11,13-14,16-18,32H,7-8,12,15H2,1-6H3,(H2,30,31,35)/t32-,40+;32-,40-;29-,37+;29-,37-;19?,22-,23-;2*17-,18-/m0000000/s1
InChIKeyBFYNLBUATJPWFF-JAWKEILJSA-N
MW4214.65 g/mol
LogP52.78
Rot. Bonds73

About 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate

4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate (PubChem CID 157337104) has the molecular formula C208H253Cl6F2I2N6O41P7 and a molecular weight of 4214.65 g/mol. Its IUPAC name is 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate.

Molecular Properties

Compound Name4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate
PubChem CID157337104
Molecular FormulaC208H253Cl6F2I2N6O41P7
Molecular Weight4214.65 g/mol
Exact Mass4209.22
IUPAC Name4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(Cc2ccc(O)c(C(C)CC)c2)c(C)c1)N[C@@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(Cl)c(Cc2ccc(O)c(C(C)C)c2)c(Cl)c1)N[C@@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(I)c(Cc2ccc(O)c(C(C)C)c2)c(I)c1)N[C@@H](C)C(=O)OCC.Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OC[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/2C32H31ClFO5P.2C30H36ClO5P.C30H45N2O7P.C27H37Cl2N2O7P.C27H37I2N2O7P/c2*1-21-14-29(37-20-40(36)38-13-12-32(39-40)25-4-3-5-27(33)19-25)15-22(2)30(21)18-24-8-11-31(35)26(17-24)16-23-6-9-28(34)10-7-23;2*1-19(2)26-14-22(10-11-28(26)32)15-27-20(3)12-25(13-21(27)4)34-18-37(33)35-29(17-30(5,6)36-37)23-8-7-9-24(31)16-23;1-9-19(4)27-17-24(12-13-28(27)33)16-26-20(5)14-25(15-21(26)6)39-18-40(36,31-22(7)29(34)37-10-2)32-23(8)30(35)38-11-3;2*1-7-36-26(33)17(5)30-39(35,31-18(6)27(34)37-8-2)15-38-20-13-23(28)22(24(29)14-20)12-19-9-10-25(32)21(11-19)16(3)4/h2*3-11,14-15,17,19,32,35H,12-13,16,18,20H2,1-2H3;2*7-14,16,19,29,32H,15,17-18H2,1-6H3;12-15,17,19,22-23,33H,9-11,16,18H2,1-8H3,(H2,31,32,36);2*9-11,13-14,16-18,32H,7-8,12,15H2,1-6H3,(H2,30,31,35)/t32-,40+;32-,40-;29-,37+;29-,37-;19?,22-,23-;2*17-,18-/m0000000/s1
InChIKeyBFYNLBUATJPWFF-JAWKEILJSA-N
XLogP52.78
TPSA629.53 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds73
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004214.65
LogP ≤ 552.78
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate?
The IUPAC name of 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate (CID 157337104) is 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate.
What is the SMILES notation for 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate?
The canonical SMILES for 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate is CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(Cc2ccc(O)c(C(C)CC)c2)c(C)c1)N[C@@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(Cl)c(Cc2ccc(O)c(C(C)C)c2)c(Cl)c1)N[C@@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(I)c(Cc2ccc(O)c(C(C)C)c2)c(I)c1)N[C@@H](C)C(=O)OCC.Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OC[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate?
The InChIKey is BFYNLBUATJPWFF-JAWKEILJSA-N. The full InChI is InChI=1S/2C32H31ClFO5P.2C30H36ClO5P.C30H45N2O7P.C27H37Cl2N2O7P.C27H37I2N2O7P/c2*1-21-14-29(37-20-40(36)38-13-12-32(39-40)25-4-3-5-27(33)19-25)15-22(2)30(21)18-24-8-11-31(35)26(17-24)16-23-6-9-28(34)10-7-23;2*1-19(2)26-14-22(10-11-28(26)32)15-27-20(3)12-25(13-21(27)4)34-18-37(33)35-29(17-30(5,6)36-37)23-8-7-9-24(31)16-23;1-9-19(4)27-17-24(12-13-28(27)33)16-26-20(5)14-25(15-21(26)6)39-18-40(36,31-22(7)29(34)37-10-2)32-23(8)30(35)38-11-3;2*1-7-36-26(33)17(5)30-39(35,31-18(6)27(34)37-8-2)15-38-20-13-23(28)22(24(29)14-20)12-19-9-10-25(32)21(11-19)16(3)4/h2*3-11,14-15,17,19,32,35H,12-13,16,18,20H2,1-2H3;2*7-14,16,19,29,32H,15,17-18H2,1-6H3;12-15,17,19,22-23,33H,9-11,16,18H2,1-8H3,(H2,31,32,36);2*9-11,13-14,16-18,32H,7-8,12,15H2,1-6H3,(H2,30,31,35)/t32-,40+;32-,40-;29-,37+;29-,37-;19?,22-,23-;2*17-,18-/m0000000/s1.
What are the key properties of 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate?
4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate has a molecular weight of 4214.65 g/mol, XLogP of 52.78, 73 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2S,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2S)-2-[[[4-[(3-butan-2-yl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[3,5-dichloro-4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]methyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate is sourced from PubChem (CID 157337104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).