(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide

C143H173F6N13O21 — CID 158271936

IUPAC(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide
SMILESCC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1cccc2cccnc12.CC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1ccccc1F.CC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1ccccn1.Cc1cc(C(=O)C[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCCC(=O)c2ccccc2F)no1.Cc1ccc(C(=O)CCCNC(=O)[C@@H](CC(=O)CCc2ccc(F)cc2)CC(=O)NC(C)(C)C)c2ccccc12
InChIInChI=1S/C33H39FN2O4.C31H36FN3O4.C28H34F2N2O4.C27H34FN3O4.C24H30FN3O5/c1-22-11-18-29(28-9-6-5-8-27(22)28)30(38)10-7-19-35-32(40)24(21-31(39)36-33(2,3)4)20-26(37)17-14-23-12-15-25(34)16-13-23;1-31(2,3)35-28(38)20-23(19-25(36)16-13-21-11-14-24(32)15-12-21)30(39)34-18-6-10-27(37)26-9-4-7-22-8-5-17-33-29(22)26;1-28(2,3)32-26(35)18-20(17-22(33)15-12-19-10-13-21(29)14-11-19)27(36)31-16-6-9-25(34)23-7-4-5-8-24(23)30;1-27(2,3)31-25(34)18-20(17-22(32)14-11-19-9-12-21(28)13-10-19)26(35)30-16-6-8-24(33)23-7-4-5-15-29-23;1-15-12-19(28-33-15)21(30)13-16(14-22(31)27-24(2,3)4)23(32)26-11-7-10-20(29)17-8-5-6-9-18(17)25/h5-6,8-9,11-13,15-16,18,24H,7,10,14,17,19-21H2,1-4H3,(H,35,40)(H,36,39);4-5,7-9,11-12,14-15,17,23H,6,10,13,16,18-20H2,1-3H3,(H,34,39)(H,35,38);4-5,7-8,10-11,13-14,20H,6,9,12,15-18H2,1-3H3,(H,31,36)(H,32,35);4-5,7,9-10,12-13,15,20H,6,8,11,14,16-18H2,1-3H3,(H,30,35)(H,31,34);5-6,8-9,12,16H,7,10-11,13-14H2,1-4H3,(H,26,32)(H,27,31)/t24-;23-;2*20-;16-/m00000/s1
InChIKeyGJDJAJKNYOFWMP-WYRHVUPWSA-N
MW2524.01 g/mol
LogP22.61
Rot. Bonds63

About (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide

(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide (PubChem CID 158271936) has the molecular formula C143H173F6N13O21 and a molecular weight of 2524.01 g/mol. Its IUPAC name is (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide.

Molecular Properties

Compound Name(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide
PubChem CID158271936
Molecular FormulaC143H173F6N13O21
Molecular Weight2524.01 g/mol
Exact Mass2522.28
IUPAC Name(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide
SMILESCC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1cccc2cccnc12.CC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1ccccc1F.CC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1ccccn1.Cc1cc(C(=O)C[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCCC(=O)c2ccccc2F)no1.Cc1ccc(C(=O)CCCNC(=O)[C@@H](CC(=O)CCc2ccc(F)cc2)CC(=O)NC(C)(C)C)c2ccccc12
InChIInChI=1S/C33H39FN2O4.C31H36FN3O4.C28H34F2N2O4.C27H34FN3O4.C24H30FN3O5/c1-22-11-18-29(28-9-6-5-8-27(22)28)30(38)10-7-19-35-32(40)24(21-31(39)36-33(2,3)4)20-26(37)17-14-23-12-15-25(34)16-13-23;1-31(2,3)35-28(38)20-23(19-25(36)16-13-21-11-14-24(32)15-12-21)30(39)34-18-6-10-27(37)26-9-4-7-22-8-5-17-33-29(22)26;1-28(2,3)32-26(35)18-20(17-22(33)15-12-19-10-13-21(29)14-11-19)27(36)31-16-6-9-25(34)23-7-4-5-8-24(23)30;1-27(2,3)31-25(34)18-20(17-22(32)14-11-19-9-12-21(28)13-10-19)26(35)30-16-6-8-24(33)23-7-4-5-15-29-23;1-15-12-19(28-33-15)21(30)13-16(14-22(31)27-24(2,3)4)23(32)26-11-7-10-20(29)17-8-5-6-9-18(17)25/h5-6,8-9,11-13,15-16,18,24H,7,10,14,17,19-21H2,1-4H3,(H,35,40)(H,36,39);4-5,7-9,11-12,14-15,17,23H,6,10,13,16,18-20H2,1-3H3,(H,34,39)(H,35,38);4-5,7-8,10-11,13-14,20H,6,9,12,15-18H2,1-3H3,(H,31,36)(H,32,35);4-5,7,9-10,12-13,15,20H,6,8,11,14,16-18H2,1-3H3,(H,30,35)(H,31,34);5-6,8-9,12,16H,7,10-11,13-14H2,1-4H3,(H,26,32)(H,27,31)/t24-;23-;2*20-;16-/m00000/s1
InChIKeyGJDJAJKNYOFWMP-WYRHVUPWSA-N
XLogP22.61
TPSA513.51 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds63
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002524.01
LogP ≤ 522.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide with MolForge

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Related Compounds

N-(1-adamantyl)-5-(4-quinolin-3-ylphenyl)-1,2-oxazole-3-carboxamide
CID 127047429
3-[6-[3,3-Dimethyl-1-[[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methyl]piperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177016796
3-[6-[1-[[4-(5-Cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177016975
4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]methyl]-N-[[(2S)-2-methylcyclohexyl]methyl]quinoline-2-carboxamide
CID 144217247
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;sulfane
CID 157565028
CID 158224861
CID 158224861
(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide
CID 158482073
(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide;(2S)-2-[4-(4-fluorophenyl)-2-oxobutyl]-N'-(1-methylcyclopropyl)-N-[4-oxo-4-(3-phenylphenyl)butyl]butanediamide
CID 159435787
(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]hexanamide;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;5-methyl-N-[(2S,5R)-7-methyl-1-naphthalen-1-yl-3-oxo-5-[[1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]-1,2-oxazole-3-carboxamide;(2R)-4-methyl-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]pentanamide
CID 160724646
(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]hexanamide;N-[(2S,5R)-1-(4-fluorophenyl)-7-methyl-3-oxo-5-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]carbamoyl]octan-2-yl]pyrazine-2-carboxamide;5-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-oxo-1-[[1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]amino]pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide;5-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]amino]pentan-2-yl]-1,2-oxazole-3-carboxamide
CID 161159024
CID 161232403
CID 161232403
N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3,5-difluorobenzamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-(6-hydroxy-5,8-dihydronaphthalen-2-yl)-4-oxobutanamide;(2R)-N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3,4-difluorophenyl)methyl]-4-oxo-4-(3-oxo-4H-quinoxalin-2-yl)butanamide
CID 167655520

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide?
The IUPAC name of (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide (CID 158271936) is (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide.
What is the SMILES notation for (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide?
The canonical SMILES for (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide is CC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1cccc2cccnc12.CC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1ccccc1F.CC(C)(C)NC(=O)C[C@H](CC(=O)CCc1ccc(F)cc1)C(=O)NCCCC(=O)c1ccccn1.Cc1cc(C(=O)C[C@@H](CC(=O)NC(C)(C)C)C(=O)NCCCC(=O)c2ccccc2F)no1.Cc1ccc(C(=O)CCCNC(=O)[C@@H](CC(=O)CCc2ccc(F)cc2)CC(=O)NC(C)(C)C)c2ccccc12.
What is the InChIKey of (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide?
The InChIKey is GJDJAJKNYOFWMP-WYRHVUPWSA-N. The full InChI is InChI=1S/C33H39FN2O4.C31H36FN3O4.C28H34F2N2O4.C27H34FN3O4.C24H30FN3O5/c1-22-11-18-29(28-9-6-5-8-27(22)28)30(38)10-7-19-35-32(40)24(21-31(39)36-33(2,3)4)20-26(37)17-14-23-12-15-25(34)16-13-23;1-31(2,3)35-28(38)20-23(19-25(36)16-13-21-11-14-24(32)15-12-21)30(39)34-18-6-10-27(37)26-9-4-7-22-8-5-17-33-29(22)26;1-28(2,3)32-26(35)18-20(17-22(33)15-12-19-10-13-21(29)14-11-19)27(36)31-16-6-9-25(34)23-7-4-5-8-24(23)30;1-27(2,3)31-25(34)18-20(17-22(32)14-11-19-9-12-21(28)13-10-19)26(35)30-16-6-8-24(33)23-7-4-5-15-29-23;1-15-12-19(28-33-15)21(30)13-16(14-22(31)27-24(2,3)4)23(32)26-11-7-10-20(29)17-8-5-6-9-18(17)25/h5-6,8-9,11-13,15-16,18,24H,7,10,14,17,19-21H2,1-4H3,(H,35,40)(H,36,39);4-5,7-9,11-12,14-15,17,23H,6,10,13,16,18-20H2,1-3H3,(H,34,39)(H,35,38);4-5,7-8,10-11,13-14,20H,6,9,12,15-18H2,1-3H3,(H,31,36)(H,32,35);4-5,7,9-10,12-13,15,20H,6,8,11,14,16-18H2,1-3H3,(H,30,35)(H,31,34);5-6,8-9,12,16H,7,10-11,13-14H2,1-4H3,(H,26,32)(H,27,31)/t24-;23-;2*20-;16-/m00000/s1.
What are the key properties of (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide?
(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide has a molecular weight of 2524.01 g/mol, XLogP of 22.61, 63 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[4-(4-fluorophenyl)-2-oxobutyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-[4-(4-methylnaphthalen-1-yl)-4-oxobutyl]butanediamide;(2S)-N'-tert-butyl-N-[4-(2-fluorophenyl)-4-oxobutyl]-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-pyridin-2-ylbutyl)butanediamide;(2S)-N'-tert-butyl-2-[4-(4-fluorophenyl)-2-oxobutyl]-N-(4-oxo-4-quinolin-8-ylbutyl)butanediamide is sourced from PubChem (CID 158271936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).