(2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

C40H68N6O6 — CID 143787447

About (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

(2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 143787447) has the molecular formula C40H68N6O6 and a molecular weight of 729.02 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
• PubChem CID: 143787447
• Molecular Formula: C40H68N6O6
• Molecular Weight: 729.02 g/mol
• Exact Mass: 728.52
• IUPAC Name: (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
• SMILES: CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@@H](C(C)(C)C2CCC2)C[C@H]1C(=O)NCC(=O)C(=O)NC1CCC1)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C40H68N6O6/c1-24(2)45-20-12-11-19-28(45)34(49)43-31(38(3,4)5)36(51)44-32(39(6,7)8)37(52)46-23-26(40(9,10)25-15-13-16-25)21-29(46)33(48)41-22-30(47)35(50)42-27-17-14-18-27/h24-29,31-32H,11-23H2,1-10H3,(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t26-,28+,29-,31+,32+/m0/s1
• InChIKey: BFFNOKACQQRHOG-ZSLHEHBDSA-N
• XLogP: 3.71
• TPSA: 157.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	729.02
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The IUPAC name of (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide (CID 143787447) is (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The canonical SMILES for (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide is CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@@H](C(C)(C)C2CCC2)C[C@H]1C(=O)NCC(=O)C(=O)NC1CCC1)C(C)(C)C)C(C)(C)C.

What is the InChIKey of (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The InChIKey is BFFNOKACQQRHOG-ZSLHEHBDSA-N. The full InChI is InChI=1S/C40H68N6O6/c1-24(2)45-20-12-11-19-28(45)34(49)43-31(38(3,4)5)36(51)44-32(39(6,7)8)37(52)46-23-26(40(9,10)25-15-13-16-25)21-29(46)33(48)41-22-30(47)35(50)42-27-17-14-18-27/h24-29,31-32H,11-23H2,1-10H3,(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t26-,28+,29-,31+,32+/m0/s1.

What are the key properties of (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

(2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 729.02 g/mol, XLogP of 3.71, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-[[(2S)-1-[(2S,4R)-2-[[3-(cyclobutylamino)-2,3-dioxopropyl]carbamoyl]-4-(2-cyclobutylpropan-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 143787447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).