2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid

C160H172F6N18O39 — CID 158131156

IUPAC2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid
SMILESCC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1.CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3cccc(C(F)(F)F)c3)n2)cc1.CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3noc(-c4ccc(C)cc4)n3)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3noc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)cc1.Cc1ccc(-c2nc(COc3ccc([C@H](C)N(CC(=O)O)C(=O)OCC(C)C)cc3)no2)cc1
InChIInChI=1S/C29H26F3N3O8.C29H29N3O7.C28H35N3O6.C25H26F3N3O6.C25H29N3O6.C24H27N3O6/c1-18(35(17-26(36)37)28(38)41-23-13-11-21(39-2)12-14-23)19-3-7-22(8-4-19)40-16-15-25-33-27(43-34-25)20-5-9-24(10-6-20)42-29(30,31)32;1-19-4-6-22(7-5-19)28-30-26(31-39-28)16-17-37-24-10-8-21(9-11-24)20(2)32(18-27(33)34)29(35)38-25-14-12-23(36-3)13-15-25;1-18(2)16-36-27(34)31(15-25(32)33)19(3)20-9-13-23(14-10-20)35-17-24-29-26(37-30-24)21-7-11-22(12-8-21)28(4,5)6;1-15(2)13-36-24(34)31(12-22(32)33)16(3)17-7-9-20(10-8-17)35-14-21-29-23(37-30-21)18-5-4-6-19(11-18)25(26,27)28;1-16(2)14-33-25(31)28(13-23(29)30)18(4)19-9-11-21(12-10-19)32-15-22-26-24(34-27-22)20-7-5-17(3)6-8-20;1-16(2)14-32-24(30)27(13-22(28)29)17(3)18-9-11-20(12-10-18)31-15-21-25-23(33-26-21)19-7-5-4-6-8-19/h3-14,18H,15-17H2,1-2H3,(H,36,37);4-15,20H,16-18H2,1-3H3,(H,33,34);7-14,18-19H,15-17H2,1-6H3,(H,32,33);4-11,15-16H,12-14H2,1-3H3,(H,32,33);5-12,16,18H,13-15H2,1-4H3,(H,29,30);4-12,16-17H,13-15H2,1-3H3,(H,28,29)/t18-;20-;19-;16-;18-;17-/m000000/s1
InChIKeyFSUFDZSKCIIKKR-GFVYVYDSSA-N
MW3085.21 g/mol
LogP32.08
Rot. Bonds63

About 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid

2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid (PubChem CID 158131156) has the molecular formula C160H172F6N18O39 and a molecular weight of 3085.21 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid
PubChem CID158131156
Molecular FormulaC160H172F6N18O39
Molecular Weight3085.21 g/mol
Exact Mass3083.19
IUPAC Name2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid
SMILESCC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1.CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3cccc(C(F)(F)F)c3)n2)cc1.CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3noc(-c4ccc(C)cc4)n3)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3noc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)cc1.Cc1ccc(-c2nc(COc3ccc([C@H](C)N(CC(=O)O)C(=O)OCC(C)C)cc3)no2)cc1
InChIInChI=1S/C29H26F3N3O8.C29H29N3O7.C28H35N3O6.C25H26F3N3O6.C25H29N3O6.C24H27N3O6/c1-18(35(17-26(36)37)28(38)41-23-13-11-21(39-2)12-14-23)19-3-7-22(8-4-19)40-16-15-25-33-27(43-34-25)20-5-9-24(10-6-20)42-29(30,31)32;1-19-4-6-22(7-5-19)28-30-26(31-39-28)16-17-37-24-10-8-21(9-11-24)20(2)32(18-27(33)34)29(35)38-25-14-12-23(36-3)13-15-25;1-18(2)16-36-27(34)31(15-25(32)33)19(3)20-9-13-23(14-10-20)35-17-24-29-26(37-30-24)21-7-11-22(12-8-21)28(4,5)6;1-15(2)13-36-24(34)31(12-22(32)33)16(3)17-7-9-20(10-8-17)35-14-21-29-23(37-30-21)18-5-4-6-19(11-18)25(26,27)28;1-16(2)14-33-25(31)28(13-23(29)30)18(4)19-9-11-21(12-10-19)32-15-22-26-24(34-27-22)20-7-5-17(3)6-8-20;1-16(2)14-32-24(30)27(13-22(28)29)17(3)18-9-11-20(12-10-18)31-15-21-25-23(33-26-21)19-7-5-4-6-8-19/h3-14,18H,15-17H2,1-2H3,(H,36,37);4-15,20H,16-18H2,1-3H3,(H,33,34);7-14,18-19H,15-17H2,1-6H3,(H,32,33);4-11,15-16H,12-14H2,1-3H3,(H,32,33);5-12,16,18H,13-15H2,1-4H3,(H,29,30);4-12,16-17H,13-15H2,1-3H3,(H,28,29)/t18-;20-;19-;16-;18-;17-/m000000/s1
InChIKeyFSUFDZSKCIIKKR-GFVYVYDSSA-N
XLogP32.08
TPSA717.63 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds63
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003085.21
LogP ≤ 532.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid?
The IUPAC name of 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid (CID 158131156) is 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid is CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1.CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3cccc(C(F)(F)F)c3)n2)cc1.CC(C)COC(=O)N(CC(=O)O)[C@@H](C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3noc(-c4ccc(C)cc4)n3)cc2)cc1.COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2ccc(OCCc3noc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)cc1.Cc1ccc(-c2nc(COc3ccc([C@H](C)N(CC(=O)O)C(=O)OCC(C)C)cc3)no2)cc1.
What is the InChIKey of 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid?
The InChIKey is FSUFDZSKCIIKKR-GFVYVYDSSA-N. The full InChI is InChI=1S/C29H26F3N3O8.C29H29N3O7.C28H35N3O6.C25H26F3N3O6.C25H29N3O6.C24H27N3O6/c1-18(35(17-26(36)37)28(38)41-23-13-11-21(39-2)12-14-23)19-3-7-22(8-4-19)40-16-15-25-33-27(43-34-25)20-5-9-24(10-6-20)42-29(30,31)32;1-19-4-6-22(7-5-19)28-30-26(31-39-28)16-17-37-24-10-8-21(9-11-24)20(2)32(18-27(33)34)29(35)38-25-14-12-23(36-3)13-15-25;1-18(2)16-36-27(34)31(15-25(32)33)19(3)20-9-13-23(14-10-20)35-17-24-29-26(37-30-24)21-7-11-22(12-8-21)28(4,5)6;1-15(2)13-36-24(34)31(12-22(32)33)16(3)17-7-9-20(10-8-17)35-14-21-29-23(37-30-21)18-5-4-6-19(11-18)25(26,27)28;1-16(2)14-33-25(31)28(13-23(29)30)18(4)19-9-11-21(12-10-19)32-15-22-26-24(34-27-22)20-7-5-17(3)6-8-20;1-16(2)14-32-24(30)27(13-22(28)29)17(3)18-9-11-20(12-10-18)31-15-21-25-23(33-26-21)19-7-5-4-6-8-19/h3-14,18H,15-17H2,1-2H3,(H,36,37);4-15,20H,16-18H2,1-3H3,(H,33,34);7-14,18-19H,15-17H2,1-6H3,(H,32,33);4-11,15-16H,12-14H2,1-3H3,(H,32,33);5-12,16,18H,13-15H2,1-4H3,(H,29,30);4-12,16-17H,13-15H2,1-3H3,(H,28,29)/t18-;20-;19-;16-;18-;17-/m000000/s1.
What are the key properties of 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid?
2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid has a molecular weight of 3085.21 g/mol, XLogP of 32.08, 63 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]ethoxy]phenyl]ethyl]amino]acetic acid;2-[[(1S)-1-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]-(2-methylpropoxycarbonyl)amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethyl]amino]acetic acid;2-[2-methylpropoxycarbonyl-[(1S)-1-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethyl]amino]acetic acid is sourced from PubChem (CID 158131156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).