N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide

C150H181F8N17O23S — CID 159748926

About N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide

N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide (PubChem CID 159748926) has the molecular formula C150H181F8N17O23S and a molecular weight of 2774.24 g/mol. Its IUPAC name is N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
• PubChem CID: 159748926
• Molecular Formula: C150H181F8N17O23S
• Molecular Weight: 2774.24 g/mol
• Exact Mass: 2772.31
• IUPAC Name: N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
• SMILES: CC1CC(=O)N(CC(=O)C(N)CCN(C(=O)CO)C(c2cc(-c3cc(F)ccc3F)cn2Cc2ccccc2)C(C)(C)C)C1=O.CC1CC(=O)N(CC(=O)CCCCN(C(=O)CSCCC(=O)NCCC(=O)NC(CCC(=O)O)C(=O)O)C(c2cc(-c3cc(F)ccc3F)cn2Cc2ccccc2)C(C)(C)C)C1=O.CC1CC(=O)N(CC(=O)N(CC2CCNC2)C(c2cc(-c3cc(F)ccc3F)cn2Cc2ccccc2)C(C)(C)C)C1=O.COC(C)C(=O)N(CCC(N)C(=O)CN1C(=O)CC(C)C1=O)C(c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C
• InChI: InChI=1S/C46H57F2N5O10S.C36H44F2N4O5.C34H40F2N4O5.C34H40F2N4O3/c1-29-22-40(57)53(44(29)61)27-33(54)12-8-9-20-52(41(58)28-64-21-18-38(55)49-19-17-39(56)50-36(45(62)63)15-16-42(59)60)43(46(2,3)4)37-23-31(34-24-32(47)13-14-35(34)48)26-51(37)25-30-10-6-5-7-11-30;1-22-16-32(44)42(34(22)45)21-31(43)29(39)14-15-41(35(46)23(2)47-6)33(36(3,4)5)30-17-25(27-18-26(37)12-13-28(27)38)20-40(30)19-24-10-8-7-9-11-24;1-21-14-30(43)40(33(21)45)19-29(42)27(37)12-13-39(31(44)20-41)32(34(2,3)4)28-15-23(25-16-24(35)10-11-26(25)36)18-38(28)17-22-8-6-5-7-9-22;1-22-14-30(41)40(33(22)43)21-31(42)39(19-24-12-13-37-17-24)32(34(2,3)4)29-15-25(27-16-26(35)10-11-28(27)36)20-38(29)18-23-8-6-5-7-9-23/h5-7,10-11,13-14,23-24,26,29,36,43H,8-9,12,15-22,25,27-28H2,1-4H3,(H,49,55)(H,50,56)(H,59,60)(H,62,63);7-13,17-18,20,22-23,29,33H,14-16,19,21,39H2,1-6H3;5-11,15-16,18,21,27,32,41H,12-14,17,19-20,37H2,1-4H3;5-11,15-16,20,22,24,32,37H,12-14,17-19,21H2,1-4H3
• InChIKey: NDKBWQBSHXPQAP-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 528.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 59
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2774.24
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?

The IUPAC name of N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide (CID 159748926) is N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide.

What is the SMILES notation for N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?

The canonical SMILES for N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide is CC1CC(=O)N(CC(=O)C(N)CCN(C(=O)CO)C(c2cc(-c3cc(F)ccc3F)cn2Cc2ccccc2)C(C)(C)C)C1=O.CC1CC(=O)N(CC(=O)CCCCN(C(=O)CSCCC(=O)NCCC(=O)NC(CCC(=O)O)C(=O)O)C(c2cc(-c3cc(F)ccc3F)cn2Cc2ccccc2)C(C)(C)C)C1=O.CC1CC(=O)N(CC(=O)N(CC2CCNC2)C(c2cc(-c3cc(F)ccc3F)cn2Cc2ccccc2)C(C)(C)C)C1=O.COC(C)C(=O)N(CCC(N)C(=O)CN1C(=O)CC(C)C1=O)C(c1cc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C(C)(C)C.

What is the InChIKey of N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?

The InChIKey is NDKBWQBSHXPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H57F2N5O10S.C36H44F2N4O5.C34H40F2N4O5.C34H40F2N4O3/c1-29-22-40(57)53(44(29)61)27-33(54)12-8-9-20-52(41(58)28-64-21-18-38(55)49-19-17-39(56)50-36(45(62)63)15-16-42(59)60)43(46(2,3)4)37-23-31(34-24-32(47)13-14-35(34)48)26-51(37)25-30-10-6-5-7-11-30;1-22-16-32(44)42(34(22)45)21-31(43)29(39)14-15-41(35(46)23(2)47-6)33(36(3,4)5)30-17-25(27-18-26(37)12-13-28(27)38)20-40(30)19-24-10-8-7-9-11-24;1-21-14-30(43)40(33(21)45)19-29(42)27(37)12-13-39(31(44)20-41)32(34(2,3)4)28-15-23(25-16-24(35)10-11-26(25)36)18-38(28)17-22-8-6-5-7-9-22;1-22-14-30(41)40(33(22)43)21-31(42)39(19-24-12-13-37-17-24)32(34(2,3)4)29-15-25(27-16-26(35)10-11-28(27)36)20-38(29)18-23-8-6-5-7-9-23/h5-7,10-11,13-14,23-24,26,29,36,43H,8-9,12,15-22,25,27-28H2,1-4H3,(H,49,55)(H,50,56)(H,59,60)(H,62,63);7-13,17-18,20,22-23,29,33H,14-16,19,21,39H2,1-6H3;5-11,15-16,18,21,27,32,41H,12-14,17,19-20,37H2,1-4H3;5-11,15-16,20,22,24,32,37H,12-14,17-19,21H2,1-4H3.

What are the key properties of N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?

N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide has a molecular weight of 2774.24 g/mol, XLogP of 20.18, 59 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide;N-[3-amino-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxopentyl]-N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-methoxypropanamide;2-[3-[3-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-5-oxohexyl]amino]-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]pentanedioic acid;N-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(pyrrolidin-3-ylmethyl)acetamide is sourced from PubChem (CID 159748926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).