(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

C107H139F2N13O20 — CID 161159024

About (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

(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 (PubChem CID 161159024) has the molecular formula C107H139F2N13O20 and a molecular weight of 1965.36 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 161159024
• Molecular Formula: C107H139F2N13O20
• Molecular Weight: 1965.36 g/mol
• Exact Mass: 1964.02
• IUPAC Name: (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
• SMILES: CC(C)C[C@H](CC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnccn1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)NC(C=O)C[C@@H]2CCCCC2=O)no1
• InChI: InChI=1S/C33H40N4O6.C30H37FN4O5.C24H33FN2O4.C20H29N3O5/c1-20(2)15-27(31(40)34-25(19-38)17-24-10-5-7-14-30(24)39)35-32(41)28(36-33(42)29-16-21(3)43-37-29)18-23-12-8-11-22-9-4-6-13-26(22)23;1-19(2)13-22(29(39)34-24(18-36)15-21-5-3-4-6-27(21)37)16-28(38)25(14-20-7-9-23(31)10-8-20)35-30(40)26-17-32-11-12-33-26;1-15(2)10-19(13-22(29)16(3)11-17-4-6-20(25)7-5-17)24(31)27-21(14-28)12-18-8-9-26-23(18)30;1-12(2)8-16(22-20(27)17-9-13(3)28-23-17)19(26)21-15(11-24)10-14-6-4-5-7-18(14)25/h4,6,8-9,11-13,16,19-20,24-25,27-28H,5,7,10,14-15,17-18H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);7-12,17-19,21-22,24-25H,3-6,13-16H2,1-2H3,(H,34,39)(H,35,40);4-7,14-16,18-19,21H,8-13H2,1-3H3,(H,26,30)(H,27,31);9,11-12,14-16H,4-8,10H2,1-3H3,(H,21,26)(H,22,27)/t24-,25?,27-,28-;21-,22+,24-,25-;16-,18-,19+,21-;14-,15-,16-/m0000/s1
• InChIKey: UPRINSKGLFITMY-BXKBGRSWSA-N
• XLogP: 12.05
• TPSA: 493.37 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 48
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1965.36
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC(C)C[C@H](CC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O.CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnccn1)C(=O)N[C@H](C=O)C[C@@H]1CCCCC1=O.Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCCCC2=O)no1.Cc1cc(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)NC(C=O)C[C@@H]2CCCCC2=O)no1.

What is the InChIKey of (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?

The InChIKey is UPRINSKGLFITMY-BXKBGRSWSA-N. The full InChI is InChI=1S/C33H40N4O6.C30H37FN4O5.C24H33FN2O4.C20H29N3O5/c1-20(2)15-27(31(40)34-25(19-38)17-24-10-5-7-14-30(24)39)35-32(41)28(36-33(42)29-16-21(3)43-37-29)18-23-12-8-11-22-9-4-6-13-26(22)23;1-19(2)13-22(29(39)34-24(18-36)15-21-5-3-4-6-27(21)37)16-28(38)25(14-20-7-9-23(31)10-8-20)35-30(40)26-17-32-11-12-33-26;1-15(2)10-19(13-22(29)16(3)11-17-4-6-20(25)7-5-17)24(31)27-21(14-28)12-18-8-9-26-23(18)30;1-12(2)8-16(22-20(27)17-9-13(3)28-23-17)19(26)21-15(11-24)10-14-6-4-5-7-18(14)25/h4,6,8-9,11-13,16,19-20,24-25,27-28H,5,7,10,14-15,17-18H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);7-12,17-19,21-22,24-25H,3-6,13-16H2,1-2H3,(H,34,39)(H,35,40);4-7,14-16,18-19,21H,8-13H2,1-3H3,(H,26,30)(H,27,31);9,11-12,14-16H,4-8,10H2,1-3H3,(H,21,26)(H,22,27)/t24-,25?,27-,28-;21-,22+,24-,25-;16-,18-,19+,21-;14-,15-,16-/m0000/s1.

What are the key properties of (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?

(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 has a molecular weight of 1965.36 g/mol, XLogP of 12.05, 48 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 161159024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).