(2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid

C149H164F3N13O20S6 — CID 158581246

IUPAC(2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid
SMILESCC(C)Sc1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CC(C)c1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CCCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CCOc1cc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc(C(F)(F)F)c1
InChIInChI=1S/C44H50N4O7S2.C35H36F3N3O5S.C35H39N3O4S2.C35H39N3O4S/c1-7-8-23-48(28-31-11-17-36(55-6)18-12-31)57(53,54)37-19-15-32(16-20-37)35-26-45-41(46-27-35)33-13-9-30(10-14-33)24-34(42(50)47-29(2)43(51)52)25-38(49)39-21-22-40(56-39)44(3,4)5;1-6-46-27-15-23(14-26(17-27)35(36,37)38)25-18-39-31(40-19-25)22-9-7-21(8-10-22)13-24(32(43)41-20(2)33(44)45)16-28(42)29-11-12-30(47-29)34(3,4)5;1-21(2)43-28-13-11-24(12-14-28)27-19-36-32(37-20-27)25-9-7-23(8-10-25)17-26(33(40)38-22(3)34(41)42)18-29(39)30-15-16-31(44-30)35(4,5)6;1-21(2)24-11-13-25(14-12-24)28-19-36-32(37-20-28)26-9-7-23(8-10-26)17-27(33(40)38-22(3)34(41)42)18-29(39)30-15-16-31(43-30)35(4,5)6/h9-22,26-27,29,34H,7-8,23-25,28H2,1-6H3,(H,47,50)(H,51,52);7-12,14-15,17-20,24H,6,13,16H2,1-5H3,(H,41,43)(H,44,45);7-16,19-22,26H,17-18H2,1-6H3,(H,38,40)(H,41,42);7-16,19-22,27H,17-18H2,1-6H3,(H,38,40)(H,41,42)/t29-,34-;20-,24-;22-,26-;22-,27-/m1111/s1
InChIKeyHTGVKVIULLHBDP-LBTIMMMNSA-N
MW2706.42 g/mol
LogP30.80
Rot. Bonds53

About (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid

(2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid (PubChem CID 158581246) has the molecular formula C149H164F3N13O20S6 and a molecular weight of 2706.42 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid
PubChem CID158581246
Molecular FormulaC149H164F3N13O20S6
Molecular Weight2706.42 g/mol
Exact Mass2704.05
IUPAC Name(2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid
SMILESCC(C)Sc1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CC(C)c1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CCCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CCOc1cc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc(C(F)(F)F)c1
InChIInChI=1S/C44H50N4O7S2.C35H36F3N3O5S.C35H39N3O4S2.C35H39N3O4S/c1-7-8-23-48(28-31-11-17-36(55-6)18-12-31)57(53,54)37-19-15-32(16-20-37)35-26-45-41(46-27-35)33-13-9-30(10-14-33)24-34(42(50)47-29(2)43(51)52)25-38(49)39-21-22-40(56-39)44(3,4)5;1-6-46-27-15-23(14-26(17-27)35(36,37)38)25-18-39-31(40-19-25)22-9-7-21(8-10-22)13-24(32(43)41-20(2)33(44)45)16-28(42)29-11-12-30(47-29)34(3,4)5;1-21(2)43-28-13-11-24(12-14-28)27-19-36-32(37-20-27)25-9-7-23(8-10-25)17-26(33(40)38-22(3)34(41)42)18-29(39)30-15-16-31(44-30)35(4,5)6;1-21(2)24-11-13-25(14-12-24)28-19-36-32(37-20-28)26-9-7-23(8-10-26)17-27(33(40)38-22(3)34(41)42)18-29(39)30-15-16-31(43-30)35(4,5)6/h9-22,26-27,29,34H,7-8,23-25,28H2,1-6H3,(H,47,50)(H,51,52);7-12,14-15,17-20,24H,6,13,16H2,1-5H3,(H,41,43)(H,44,45);7-16,19-22,26H,17-18H2,1-6H3,(H,38,40)(H,41,42);7-16,19-22,27H,17-18H2,1-6H3,(H,38,40)(H,41,42)/t29-,34-;20-,24-;22-,26-;22-,27-/m1111/s1
InChIKeyHTGVKVIULLHBDP-LBTIMMMNSA-N
XLogP30.80
TPSA492.84 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds53
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002706.42
LogP ≤ 530.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid (CID 158581246) is (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid is CC(C)Sc1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CC(C)c1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CCCCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1.CCOc1cc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid?
The InChIKey is HTGVKVIULLHBDP-LBTIMMMNSA-N. The full InChI is InChI=1S/C44H50N4O7S2.C35H36F3N3O5S.C35H39N3O4S2.C35H39N3O4S/c1-7-8-23-48(28-31-11-17-36(55-6)18-12-31)57(53,54)37-19-15-32(16-20-37)35-26-45-41(46-27-35)33-13-9-30(10-14-33)24-34(42(50)47-29(2)43(51)52)25-38(49)39-21-22-40(56-39)44(3,4)5;1-6-46-27-15-23(14-26(17-27)35(36,37)38)25-18-39-31(40-19-25)22-9-7-21(8-10-22)13-24(32(43)41-20(2)33(44)45)16-28(42)29-11-12-30(47-29)34(3,4)5;1-21(2)43-28-13-11-24(12-14-28)27-19-36-32(37-20-27)25-9-7-23(8-10-25)17-26(33(40)38-22(3)34(41)42)18-29(39)30-15-16-31(44-30)35(4,5)6;1-21(2)24-11-13-25(14-12-24)28-19-36-32(37-20-28)26-9-7-23(8-10-26)17-27(33(40)38-22(3)34(41)42)18-29(39)30-15-16-31(43-30)35(4,5)6/h9-22,26-27,29,34H,7-8,23-25,28H2,1-6H3,(H,47,50)(H,51,52);7-12,14-15,17-20,24H,6,13,16H2,1-5H3,(H,41,43)(H,44,45);7-16,19-22,26H,17-18H2,1-6H3,(H,38,40)(H,41,42);7-16,19-22,27H,17-18H2,1-6H3,(H,38,40)(H,41,42)/t29-,34-;20-,24-;22-,26-;22-,27-/m1111/s1.
What are the key properties of (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid has a molecular weight of 2706.42 g/mol, XLogP of 30.80, 53 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-[[4-[5-[4-[butyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrimidin-2-yl]phenyl]methyl]-4-(5-tert-butylthiophen-2-yl)-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-2-[[4-[5-[3-ethoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid;(2R)-2-[[(2R)-4-(5-tert-butylthiophen-2-yl)-4-oxo-2-[[4-[5-(4-propan-2-ylsulfanylphenyl)pyrimidin-2-yl]phenyl]methyl]butanoyl]amino]propanoic acid is sourced from PubChem (CID 158581246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).