[2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid

C216H207F18NO58S16 — CID 159882627

IUPAC[2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid
SMILESCC(=O)CC(CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)CC(CSC(=O)C(CS)CC(C)=O)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)C(=O)O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)C(N)=O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CSC(=O)C(CS)CC(C)=O)CC(C)=O)C(=O)O.CC(=O)C[C@@H](CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)C[C@H](CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CCOC(=O)C(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)CC(C)=O.COC(=O)C(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)CC(C)=O
InChIInChI=1S/C31H32F2O9S3.C27H28F2O7S2.C26H26F2O7S2.C25H25F2NO6S2.2C25H24F2O7S2.3C19H16F2O5S/c1-16(34)8-20(13-43)30(40)44-15-22(10-18(3)36)29(39)42-27-7-4-19(24-6-5-23(32)12-26(24)33)11-25(27)31(41)45-14-21(28(37)38)9-17(2)35;1-4-35-25(32)19(10-16(3)31)14-38-27(34)22-11-17(21-7-6-20(28)12-23(21)29)5-8-24(22)36-26(33)18(13-37)9-15(2)30;1-14(29)8-17(12-36)25(32)35-23-7-4-16(20-6-5-19(27)11-22(20)28)10-21(23)26(33)37-13-18(9-15(2)30)24(31)34-3;1-13(29)7-16(11-35)24(32)34-22-6-3-15(19-5-4-18(26)10-21(19)27)9-20(22)25(33)36-12-17(23(28)31)8-14(2)30;1-13(28)7-16(11-35)25(33)36-12-17(8-14(2)29)24(32)34-22-6-3-15(9-20(22)23(30)31)19-5-4-18(26)10-21(19)27;1-13(28)7-16(11-35)24(32)34-22-6-3-15(19-5-4-18(26)10-21(19)27)9-20(22)25(33)36-12-17(23(30)31)8-14(2)29;3*1-10(22)6-12(9-27)19(25)26-17-5-2-11(7-15(17)18(23)24)14-4-3-13(20)8-16(14)21/h4-7,11-12,20-22,43H,8-10,13-15H2,1-3H3,(H,37,38);5-8,11-12,18-19,37H,4,9-10,13-14H2,1-3H3;4-7,10-11,17-18,36H,8-9,12-13H2,1-3H3;3-6,9-10,16-17,35H,7-8,11-12H2,1-2H3,(H2,28,31);2*3-6,9-10,16-17,35H,7-8,11-12H2,1-2H3,(H,30,31);3*2-5,7-8,12,27H,6,9H2,1H3,(H,23,24)/t;;;;;;2*12-;/m......10./s1
InChIKeyNTSGZRUONUXOFW-QEMHWVRVSA-N
MW4600.02 g/mol
LogP39.80
Rot. Bonds99

About [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid

[2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid (PubChem CID 159882627) has the molecular formula C216H207F18NO58S16 and a molecular weight of 4600.02 g/mol. Its IUPAC name is [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid.

Molecular Properties

Compound Name[2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid
PubChem CID159882627
Molecular FormulaC216H207F18NO58S16
Molecular Weight4600.02 g/mol
Exact Mass4595.85
IUPAC Name[2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid
SMILESCC(=O)CC(CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)CC(CSC(=O)C(CS)CC(C)=O)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)C(=O)O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)C(N)=O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CSC(=O)C(CS)CC(C)=O)CC(C)=O)C(=O)O.CC(=O)C[C@@H](CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)C[C@H](CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CCOC(=O)C(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)CC(C)=O.COC(=O)C(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)CC(C)=O
InChIInChI=1S/C31H32F2O9S3.C27H28F2O7S2.C26H26F2O7S2.C25H25F2NO6S2.2C25H24F2O7S2.3C19H16F2O5S/c1-16(34)8-20(13-43)30(40)44-15-22(10-18(3)36)29(39)42-27-7-4-19(24-6-5-23(32)12-26(24)33)11-25(27)31(41)45-14-21(28(37)38)9-17(2)35;1-4-35-25(32)19(10-16(3)31)14-38-27(34)22-11-17(21-7-6-20(28)12-23(21)29)5-8-24(22)36-26(33)18(13-37)9-15(2)30;1-14(29)8-17(12-36)25(32)35-23-7-4-16(20-6-5-19(27)11-22(20)28)10-21(23)26(33)37-13-18(9-15(2)30)24(31)34-3;1-13(29)7-16(11-35)24(32)34-22-6-3-15(19-5-4-18(26)10-21(19)27)9-20(22)25(33)36-12-17(23(28)31)8-14(2)30;1-13(28)7-16(11-35)25(33)36-12-17(8-14(2)29)24(32)34-22-6-3-15(9-20(22)23(30)31)19-5-4-18(26)10-21(19)27;1-13(28)7-16(11-35)24(32)34-22-6-3-15(19-5-4-18(26)10-21(19)27)9-20(22)25(33)36-12-17(23(30)31)8-14(2)29;3*1-10(22)6-12(9-27)19(25)26-17-5-2-11(7-15(17)18(23)24)14-4-3-13(20)8-16(14)21/h4-7,11-12,20-22,43H,8-10,13-15H2,1-3H3,(H,37,38);5-8,11-12,18-19,37H,4,9-10,13-14H2,1-3H3;4-7,10-11,17-18,36H,8-9,12-13H2,1-3H3;3-6,9-10,16-17,35H,7-8,11-12H2,1-2H3,(H2,28,31);2*3-6,9-10,16-17,35H,7-8,11-12H2,1-2H3,(H,30,31);3*2-5,7-8,12,27H,6,9H2,1H3,(H,23,24)/t;;;;;;2*12-;/m......10./s1
InChIKeyNTSGZRUONUXOFW-QEMHWVRVSA-N
XLogP39.80
TPSA948.80 Ų
H-Bond Donors16
H-Bond Acceptors68
Rotatable Bonds99
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004600.02
LogP ≤ 539.80
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1068

Analyze [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid with MolForge

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Related Compounds

2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid
CID 157205860
5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid
CID 159882630
[2-[2-acetamido-3-(2-acetamido-3-ethoxy-3-oxopropyl)sulfanyl-3-oxopropyl]sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 2-acetamido-3-(2-acetamido-3-sulfanylpropanoyl)sulfanylpropanoate
CID 89132993
[2-[2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-oxopentyl]sulfanylcarbonylphenyl] 4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoate
CID 157124308
2-acetamido-3-[2-acetamido-3-[2-(2-acetamido-3-sulfanylpropanoyl)oxy-5-(2,4-difluorophenyl)benzoyl]sulfanylpropanoyl]sulfanylpropanoic acid;2-acetamido-3-[2-acetamido-3-[2-(2-acetamido-3-sulfanylpropanoyl)oxy-4-methylbenzoyl]sulfanylpropanoyl]sulfanylpropanoic acid;[2-[2-acetamido-3-(2-acetamido-3-amino-3-oxopropyl)sulfanyl-3-oxopropyl]sulfanylcarbonyl-5-methylphenyl] 2-acetamido-3-sulfanylpropanoate;[2-[2-acetamido-3-(2-acetamido-3-ethoxy-3-oxopropyl)sulfanyl-3-oxopropyl]sulfanylcarbonyl-5-methylphenyl] 2-acetamido-3-sulfanylpropanoate;[2-[2-acetamido-3-(2-acetamido-3-methoxy-3-oxopropyl)sulfanyl-3-oxopropyl]sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 2-acetamido-3-sulfanylpropanoate;[2-[2-acetamido-3-(2-acetamido-3-methoxy-3-oxopropyl)sulfanyl-3-oxopropyl]sulfanylcarbonyl-5-methylphenyl] 2-acetamido-3-sulfanylpropanoate
CID 160556725
ethyl (2R)-2-acetamido-3-[(2S)-2-acetamido-3-[2-acetyloxy-5-(2,4-difluorophenyl)benzoyl]sulfanylpropanoyl]sulfanylpropanoate
CID 59487670
ethyl 2-acetamido-3-[2-acetyloxy-5-(2,4-difluorophenyl)benzoyl]sulfanylpropanoate
CID 59487563
[4-(2,4-difluorophenyl)-2-ethylsulfanylcarbonylphenyl] acetate
CID 123921466
2-acetamido-3-[2-acetamido-3-[2-(2-acetamido-3-sulfanylpropanoyl)oxy-5-(2,4-difluorophenyl)benzoyl]sulfanylpropanoyl]sulfanylpropanoic acid;[2-[2-acetamido-3-(2-acetamido-3-amino-3-oxopropyl)sulfanyl-3-oxopropyl]sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 2-acetamido-3-sulfanylpropanoate;[2-[2-acetamido-3-(2-acetamido-3-ethoxy-3-oxopropyl)sulfanyl-3-oxopropyl]sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 2-acetamido-3-sulfanylpropanoate;[2-[2-acetamido-3-(2-acetamido-3-methoxy-3-oxopropyl)sulfanyl-3-oxopropyl]sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 2-acetamido-3-sulfanylpropanoate;[2-[2-acetamido-7-(dimethylamino)-5,7-diimino-3-oxoheptyl]sulfanylcarbonyl-5-methylphenyl] 2-acetamido-3-(2-acetamido-3-sulfanylpropanoyl)sulfanylpropanoate;[2-[2-acetamido-7-(dimethylamino)-5,7-diimino-3-oxoheptyl]sulfanylcarbonyl-5-methylphenyl] 2-acetamido-3-sulfanylpropanoate;[2-[2-acetamido-7-(dimethylamino)-5,7-diimino-3-oxoheptyl]sulfanylcarbonylphenyl] 2-acetamido-3-(2-acetamido-3-sulfanylpropanoyl)sulfanylpropanoate;[2-[2-acetamido-7-(dimethylamino)-5,7-diimino-3-oxoheptyl]sulfanylcarbonylphenyl] 2-acetamido-3-sulfanylpropanoate
CID 158721142
2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
ethyl (2S)-2-acetamido-3-[(2R)-2-acetamido-3-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]sulfanylpropanoyl]sulfanylpropanoate;ethyl (2R)-2-acetamido-3-[(2S)-2-acetamido-3-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]sulfanylpropanoyl]sulfanylpropanoate;ethyl 2-acetamido-3-[2-acetamido-3-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]sulfanylpropanoyl]sulfanylpropanoate
CID 158074793
methyl 2-[(2R)-2-acetamido-3-ethoxy-3-oxopropyl]sulfanylcarbonyloxy-5-(2,4-difluorophenyl)benzoate
CID 59487661

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid?
The IUPAC name of [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid (CID 159882627) is [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid.
What is the SMILES notation for [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid?
The canonical SMILES for [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid is CC(=O)CC(CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)CC(CSC(=O)C(CS)CC(C)=O)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)C(=O)O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)C(N)=O.CC(=O)CC(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CSC(=O)C(CS)CC(C)=O)CC(C)=O)C(=O)O.CC(=O)C[C@@H](CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CC(=O)C[C@H](CS)C(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O.CCOC(=O)C(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)CC(C)=O.COC(=O)C(CSC(=O)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)C(CS)CC(C)=O)CC(C)=O.
What is the InChIKey of [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid?
The InChIKey is NTSGZRUONUXOFW-QEMHWVRVSA-N. The full InChI is InChI=1S/C31H32F2O9S3.C27H28F2O7S2.C26H26F2O7S2.C25H25F2NO6S2.2C25H24F2O7S2.3C19H16F2O5S/c1-16(34)8-20(13-43)30(40)44-15-22(10-18(3)36)29(39)42-27-7-4-19(24-6-5-23(32)12-26(24)33)11-25(27)31(41)45-14-21(28(37)38)9-17(2)35;1-4-35-25(32)19(10-16(3)31)14-38-27(34)22-11-17(21-7-6-20(28)12-23(21)29)5-8-24(22)36-26(33)18(13-37)9-15(2)30;1-14(29)8-17(12-36)25(32)35-23-7-4-16(20-6-5-19(27)11-22(20)28)10-21(23)26(33)37-13-18(9-15(2)30)24(31)34-3;1-13(29)7-16(11-35)24(32)34-22-6-3-15(19-5-4-18(26)10-21(19)27)9-20(22)25(33)36-12-17(23(28)31)8-14(2)30;1-13(28)7-16(11-35)25(33)36-12-17(8-14(2)29)24(32)34-22-6-3-15(9-20(22)23(30)31)19-5-4-18(26)10-21(19)27;1-13(28)7-16(11-35)24(32)34-22-6-3-15(19-5-4-18(26)10-21(19)27)9-20(22)25(33)36-12-17(23(30)31)8-14(2)29;3*1-10(22)6-12(9-27)19(25)26-17-5-2-11(7-15(17)18(23)24)14-4-3-13(20)8-16(14)21/h4-7,11-12,20-22,43H,8-10,13-15H2,1-3H3,(H,37,38);5-8,11-12,18-19,37H,4,9-10,13-14H2,1-3H3;4-7,10-11,17-18,36H,8-9,12-13H2,1-3H3;3-6,9-10,16-17,35H,7-8,11-12H2,1-2H3,(H2,28,31);2*3-6,9-10,16-17,35H,7-8,11-12H2,1-2H3,(H,30,31);3*2-5,7-8,12,27H,6,9H2,1H3,(H,23,24)/t;;;;;;2*12-;/m......10./s1.
What are the key properties of [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid?
[2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid has a molecular weight of 4600.02 g/mol, XLogP of 39.80, 99 rotatable bonds, 16 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoyl-4-oxopentyl)sulfanylcarbonyl-4-(2,4-difluorophenyl)phenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-ethoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;[4-(2,4-difluorophenyl)-2-(2-methoxycarbonyl-4-oxopentyl)sulfanylcarbonylphenyl] 4-oxo-2-(sulfanylmethyl)pentanoate;5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-[[4-oxo-2-(sulfanylmethyl)pentanoyl]sulfanylmethyl]pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid;5-(2,4-difluorophenyl)-2-[(2R)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[(2S)-4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoic acid;2-[[5-(2,4-difluorophenyl)-2-[4-oxo-2-(sulfanylmethyl)pentanoyl]oxybenzoyl]sulfanylmethyl]-4-oxopentanoic acid is sourced from PubChem (CID 159882627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).