(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid

C112H143F12N17O26 — CID 163760242

About (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid

(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid (PubChem CID 163760242) has the molecular formula C112H143F12N17O26 and a molecular weight of 2371.44 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid
• PubChem CID: 163760242
• Molecular Formula: C112H143F12N17O26
• Molecular Weight: 2371.44 g/mol
• Exact Mass: 2370.02
• IUPAC Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid
• SMILES: CC(C)C[C@H](CC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O.CC(C)C[C@H](CC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)CC(C)C.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)CC(C)C.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](N)CC(C)C.O=C(O)c1cc2c(OC(F)(F)F)cccc2[nH]1
• InChI: InChI=1S/C25H30F3N3O6.C24H29F3N4O5.C24H27F3N4O4.C15H26N2O4.C14H25N3O4.C10H6F3NO3/c1-13(2)9-15(23(34)31-19(24(35)36-3)10-14-7-8-29-22(14)33)11-20(32)18-12-16-17(30-18)5-4-6-21(16)37-25(26,27)28;1-12(2)8-14(23(35)31-18(21(28)33)9-13-6-7-29-22(13)34)10-19(32)17-11-15-16(30-17)4-3-5-20(15)36-24(25,26)27;1-13(2)8-15(23(34)30-16(12-28)9-14-6-7-29-22(14)33)10-20(32)19-11-17-18(31-19)4-3-5-21(17)35-24(25,26)27;1-9(2)7-10(3)13(18)17-12(15(20)21-4)8-11-5-6-16-14(11)19;1-8(2)6-10(15)13(19)17-11(14(20)21-3)7-9-4-5-16-12(9)18;11-10(12,13)17-8-3-1-2-6-5(8)4-7(14-6)9(15)16/h4-6,12-15,19,30H,7-11H2,1-3H3,(H,29,33)(H,31,34);3-5,11-14,18,30H,6-10H2,1-2H3,(H2,28,33)(H,29,34)(H,31,35);3-5,11,13-16,31H,6-10H2,1-2H3,(H,29,33)(H,30,34);9-12H,5-8H2,1-4H3,(H,16,19)(H,17,18);8-11H,4-7,15H2,1-3H3,(H,16,18)(H,17,19);1-4,14H,(H,15,16)/t14-,15+,19-;13-,14+,18-;14-,15+,16-;10-,11-,12-;9-,10-,11-;/m00000./s1
• InChIKey: LXORWOZHBLWWMM-PHLUMCBPSA-N
• XLogP: 13.28
• TPSA: 651.39 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 27
• Rotatable Bonds: 48
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2371.44
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid?

The IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid (CID 163760242) is (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid.

What is the SMILES notation for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid?

The canonical SMILES for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid is CC(C)C[C@H](CC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O.CC(C)C[C@H](CC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](C)CC(C)C.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)CC(C)C.COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](N)CC(C)C.O=C(O)c1cc2c(OC(F)(F)F)cccc2[nH]1.

What is the InChIKey of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid?

The InChIKey is LXORWOZHBLWWMM-PHLUMCBPSA-N. The full InChI is InChI=1S/C25H30F3N3O6.C24H29F3N4O5.C24H27F3N4O4.C15H26N2O4.C14H25N3O4.C10H6F3NO3/c1-13(2)9-15(23(34)31-19(24(35)36-3)10-14-7-8-29-22(14)33)11-20(32)18-12-16-17(30-18)5-4-6-21(16)37-25(26,27)28;1-12(2)8-14(23(35)31-18(21(28)33)9-13-6-7-29-22(13)34)10-19(32)17-11-15-16(30-17)4-3-5-20(15)36-24(25,26)27;1-13(2)8-15(23(34)30-16(12-28)9-14-6-7-29-22(14)33)10-20(32)19-11-17-18(31-19)4-3-5-21(17)35-24(25,26)27;1-9(2)7-10(3)13(18)17-12(15(20)21-4)8-11-5-6-16-14(11)19;1-8(2)6-10(15)13(19)17-11(14(20)21-3)7-9-4-5-16-12(9)18;11-10(12,13)17-8-3-1-2-6-5(8)4-7(14-6)9(15)16/h4-6,12-15,19,30H,7-11H2,1-3H3,(H,29,33)(H,31,34);3-5,11-14,18,30H,6-10H2,1-2H3,(H2,28,33)(H,29,34)(H,31,35);3-5,11,13-16,31H,6-10H2,1-2H3,(H,29,33)(H,30,34);9-12H,5-8H2,1-4H3,(H,16,19)(H,17,18);8-11H,4-7,15H2,1-3H3,(H,16,18)(H,17,19);1-4,14H,(H,15,16)/t14-,15+,19-;13-,14+,18-;14-,15+,16-;10-,11-,12-;9-,10-,11-;/m00000./s1.

What are the key properties of (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid?

(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid has a molecular weight of 2371.44 g/mol, XLogP of 13.28, 48 rotatable bonds, 17 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanamide;methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (2S)-2-[[(2R)-4-methyl-2-[2-oxo-2-[4-(trifluoromethoxy)-1H-indol-2-yl]ethyl]pentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;4-(trifluoromethoxy)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 163760242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).