(2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine

C53H69F6N9O9 — CID 163700813

About (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine

(2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine (PubChem CID 163700813) has the molecular formula C53H69F6N9O9 and a molecular weight of 1090.18 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine
• PubChem CID: 163700813
• Molecular Formula: C53H69F6N9O9
• Molecular Weight: 1090.18 g/mol
• Exact Mass: 1089.51
• IUPAC Name: (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine
• SMILES: COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(C#N)NCC(F)(F)F)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)cc12.NCC(F)(F)F
• InChI: InChI=1S/C27H34F3N5O4.C24H31N3O5.C2H4F3N/c1-15(2)9-17(11-23(36)21-12-18-19(34-21)5-4-6-24(18)39-3)26(38)35-20(10-16-7-8-32-25(16)37)22(13-31)33-14-27(28,29)30;1-14(2)9-16(24(31)26-17(13-28)10-15-7-8-25-23(15)30)11-21(29)20-12-18-19(27-20)5-4-6-22(18)32-3;3-2(4,5)1-6/h4-6,12,15-17,20,22,33-34H,7-11,14H2,1-3H3,(H,32,37)(H,35,38);4-6,12-17,27H,7-11H2,1-3H3,(H,25,30)(H,26,31);1,6H2/t16-,17+,20-,22?;15-,16+,17-;/m00./s1
• InChIKey: KAUYHQVJZAHPGA-CKKPUSTQSA-N
• XLogP: 6.60
• TPSA: 279.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1090.18
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine?

The IUPAC name of (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine (CID 163700813) is (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine.

What is the SMILES notation for (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine?

The canonical SMILES for (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine is COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(C#N)NCC(F)(F)F)cc12.COc1cccc2[nH]c(C(=O)C[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O)cc12.NCC(F)(F)F.

What is the InChIKey of (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine?

The InChIKey is KAUYHQVJZAHPGA-CKKPUSTQSA-N. The full InChI is InChI=1S/C27H34F3N5O4.C24H31N3O5.C2H4F3N/c1-15(2)9-17(11-23(36)21-12-18-19(34-21)5-4-6-24(18)39-3)26(38)35-20(10-16-7-8-32-25(16)37)22(13-31)33-14-27(28,29)30;1-14(2)9-16(24(31)26-17(13-28)10-15-7-8-25-23(15)30)11-21(29)20-12-18-19(27-20)5-4-6-22(18)32-3;3-2(4,5)1-6/h4-6,12,15-17,20,22,33-34H,7-11,14H2,1-3H3,(H,32,37)(H,35,38);4-6,12-17,27H,7-11H2,1-3H3,(H,25,30)(H,26,31);1,6H2/t16-,17+,20-,22?;15-,16+,17-;/m00./s1.

What are the key properties of (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine?

(2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine has a molecular weight of 1090.18 g/mol, XLogP of 6.60, 24 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-cyano-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethylamino)propan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide;2,2,2-trifluoroethanamine is sourced from PubChem (CID 163700813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).