acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane

C224H284Cl3F3N26O60S — CID 158439208

IUPACacetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)C1=CCC=N1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2c(Cl)cccc2Cl)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2)[nH]1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2C(F)(F)F)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2Cl)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc[nH]1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1nccs1
InChIInChI=1S/C26H24F3N3O6.C25H23Cl2N3O6.C25H24ClN3O6.C25H26N4O5.C25H25N3O6.C20H23N3O5.C19H22N4O5.C19H21N3O5S.8C3H8.8C2H4O2/c1-16(11-18(33)12-32-25(36)37-15-17-7-3-2-4-8-17)23(35)30-13-21(34)24-31-14-22(38-24)19-9-5-6-10-20(19)26(27,28)29;1-15(10-17(31)11-30-25(34)35-14-16-6-3-2-4-7-16)23(33)28-12-20(32)24-29-13-21(36-24)22-18(26)8-5-9-19(22)27;1-16(11-18(30)12-29-25(33)34-15-17-7-3-2-4-8-17)23(32)27-13-21(31)24-28-14-22(35-24)19-9-5-6-10-20(19)26;1-17(12-20(30)13-28-25(33)34-16-18-8-4-2-5-9-18)24(32)27-15-22(31)23-26-14-21(29-23)19-10-6-3-7-11-19;1-17(12-20(29)13-28-25(32)33-16-18-8-4-2-5-9-18)23(31)26-14-21(30)24-27-15-22(34-24)19-10-6-3-7-11-19;1-14(19(26)22-12-18(25)17-8-5-9-21-17)10-16(24)11-23-20(27)28-13-15-6-3-2-4-7-15;1-13(18(26)22-11-16(25)17-20-7-8-21-17)9-15(24)10-23-19(27)28-12-14-5-3-2-4-6-14;1-13(17(25)21-11-16(24)18-20-7-8-28-18)9-15(23)10-22-19(26)27-12-14-5-3-2-4-6-14;8*1-3-2;8*1-2(3)4/h2-10,14,16H,11-13,15H2,1H3,(H,30,35)(H,32,36);2-9,13,15H,10-12,14H2,1H3,(H,28,33)(H,30,34);2-10,14,16H,11-13,15H2,1H3,(H,27,32)(H,29,33);2-11,14,17H,12-13,15-16H2,1H3,(H,26,29)(H,27,32)(H,28,33);2-11,15,17H,12-14,16H2,1H3,(H,26,31)(H,28,32);2-4,6-9,14H,5,10-13H2,1H3,(H,22,26)(H,23,27);2-8,13H,9-12H2,1H3,(H,20,21)(H,22,26)(H,23,27);2-8,13H,9-12H2,1H3,(H,21,25)(H,22,26);8*3H2,1-2H3;8*1H3,(H,3,4)/t16-;15-;16-;2*17-;14-;2*13-;;;;;;;;;;;;;;;;/m11111111................/s1
InChIKeyWHKYVTWWNDFBFJ-QUWYZLPFSA-N
MW4496.28 g/mol
LogP35.33
Rot. Bonds85

About acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane

acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane (PubChem CID 158439208) has the molecular formula C224H284Cl3F3N26O60S and a molecular weight of 4496.28 g/mol. Its IUPAC name is acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane.

Molecular Properties

Compound Nameacetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane
PubChem CID158439208
Molecular FormulaC224H284Cl3F3N26O60S
Molecular Weight4496.28 g/mol
Exact Mass4491.87
IUPAC Nameacetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)C1=CCC=N1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2c(Cl)cccc2Cl)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2)[nH]1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2C(F)(F)F)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2Cl)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc[nH]1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1nccs1
InChIInChI=1S/C26H24F3N3O6.C25H23Cl2N3O6.C25H24ClN3O6.C25H26N4O5.C25H25N3O6.C20H23N3O5.C19H22N4O5.C19H21N3O5S.8C3H8.8C2H4O2/c1-16(11-18(33)12-32-25(36)37-15-17-7-3-2-4-8-17)23(35)30-13-21(34)24-31-14-22(38-24)19-9-5-6-10-20(19)26(27,28)29;1-15(10-17(31)11-30-25(34)35-14-16-6-3-2-4-7-16)23(33)28-12-20(32)24-29-13-21(36-24)22-18(26)8-5-9-19(22)27;1-16(11-18(30)12-29-25(33)34-15-17-7-3-2-4-8-17)23(32)27-13-21(31)24-28-14-22(35-24)19-9-5-6-10-20(19)26;1-17(12-20(30)13-28-25(33)34-16-18-8-4-2-5-9-18)24(32)27-15-22(31)23-26-14-21(29-23)19-10-6-3-7-11-19;1-17(12-20(29)13-28-25(32)33-16-18-8-4-2-5-9-18)23(31)26-14-21(30)24-27-15-22(34-24)19-10-6-3-7-11-19;1-14(19(26)22-12-18(25)17-8-5-9-21-17)10-16(24)11-23-20(27)28-13-15-6-3-2-4-7-15;1-13(18(26)22-11-16(25)17-20-7-8-21-17)9-15(24)10-23-19(27)28-12-14-5-3-2-4-6-14;1-13(17(25)21-11-16(24)18-20-7-8-28-18)9-15(23)10-22-19(26)27-12-14-5-3-2-4-6-14;8*1-3-2;8*1-2(3)4/h2-10,14,16H,11-13,15H2,1H3,(H,30,35)(H,32,36);2-9,13,15H,10-12,14H2,1H3,(H,28,33)(H,30,34);2-10,14,16H,11-13,15H2,1H3,(H,27,32)(H,29,33);2-11,14,17H,12-13,15-16H2,1H3,(H,26,29)(H,27,32)(H,28,33);2-11,15,17H,12-14,16H2,1H3,(H,26,31)(H,28,32);2-4,6-9,14H,5,10-13H2,1H3,(H,22,26)(H,23,27);2-8,13H,9-12H2,1H3,(H,20,21)(H,22,26)(H,23,27);2-8,13H,9-12H2,1H3,(H,21,25)(H,22,26);8*3H2,1-2H3;8*1H3,(H,3,4)/t16-;15-;16-;2*17-;14-;2*13-;;;;;;;;;;;;;;;;/m11111111................/s1
InChIKeyWHKYVTWWNDFBFJ-QUWYZLPFSA-N
XLogP35.33
TPSA1297.69 Ų
H-Bond Donors26
H-Bond Acceptors61
Rotatable Bonds85
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004496.28
LogP ≤ 535.33
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1061

Analyze acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane?
The IUPAC name of acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane (CID 158439208) is acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane.
What is the SMILES notation for acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane?
The canonical SMILES for acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)C1=CCC=N1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2c(Cl)cccc2Cl)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2)[nH]1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2C(F)(F)F)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc(-c2ccccc2Cl)o1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ncc[nH]1.C[C@H](CC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)c1nccs1.
What is the InChIKey of acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane?
The InChIKey is WHKYVTWWNDFBFJ-QUWYZLPFSA-N. The full InChI is InChI=1S/C26H24F3N3O6.C25H23Cl2N3O6.C25H24ClN3O6.C25H26N4O5.C25H25N3O6.C20H23N3O5.C19H22N4O5.C19H21N3O5S.8C3H8.8C2H4O2/c1-16(11-18(33)12-32-25(36)37-15-17-7-3-2-4-8-17)23(35)30-13-21(34)24-31-14-22(38-24)19-9-5-6-10-20(19)26(27,28)29;1-15(10-17(31)11-30-25(34)35-14-16-6-3-2-4-7-16)23(33)28-12-20(32)24-29-13-21(36-24)22-18(26)8-5-9-19(22)27;1-16(11-18(30)12-29-25(33)34-15-17-7-3-2-4-8-17)23(32)27-13-21(31)24-28-14-22(35-24)19-9-5-6-10-20(19)26;1-17(12-20(30)13-28-25(33)34-16-18-8-4-2-5-9-18)24(32)27-15-22(31)23-26-14-21(29-23)19-10-6-3-7-11-19;1-17(12-20(29)13-28-25(32)33-16-18-8-4-2-5-9-18)23(31)26-14-21(30)24-27-15-22(34-24)19-10-6-3-7-11-19;1-14(19(26)22-12-18(25)17-8-5-9-21-17)10-16(24)11-23-20(27)28-13-15-6-3-2-4-7-15;1-13(18(26)22-11-16(25)17-20-7-8-21-17)9-15(24)10-23-19(27)28-12-14-5-3-2-4-6-14;1-13(17(25)21-11-16(24)18-20-7-8-28-18)9-15(23)10-22-19(26)27-12-14-5-3-2-4-6-14;8*1-3-2;8*1-2(3)4/h2-10,14,16H,11-13,15H2,1H3,(H,30,35)(H,32,36);2-9,13,15H,10-12,14H2,1H3,(H,28,33)(H,30,34);2-10,14,16H,11-13,15H2,1H3,(H,27,32)(H,29,33);2-11,14,17H,12-13,15-16H2,1H3,(H,26,29)(H,27,32)(H,28,33);2-11,15,17H,12-14,16H2,1H3,(H,26,31)(H,28,32);2-4,6-9,14H,5,10-13H2,1H3,(H,22,26)(H,23,27);2-8,13H,9-12H2,1H3,(H,20,21)(H,22,26)(H,23,27);2-8,13H,9-12H2,1H3,(H,21,25)(H,22,26);8*3H2,1-2H3;8*1H3,(H,3,4)/t16-;15-;16-;2*17-;14-;2*13-;;;;;;;;;;;;;;;;/m11111111................/s1.
What are the key properties of acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane?
acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane has a molecular weight of 4496.28 g/mol, XLogP of 35.33, 85 rotatable bonds, 26 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;benzyl N-[(4R)-5-[[2-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-5-[[2-(1H-imidazol-2-yl)-2-oxoethyl]amino]-4-methyl-2,5-dioxopentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(3H-pyrrol-5-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-(1,3-thiazol-2-yl)ethyl]amino]pentyl]carbamate;benzyl N-[(4R)-4-methyl-2,5-dioxo-5-[[2-oxo-2-[5-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl]amino]pentyl]carbamate;propane is sourced from PubChem (CID 158439208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).