(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide

C36H57N5O6 — CID 143355120

About (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide

(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide (PubChem CID 143355120) has the molecular formula C36H57N5O6 and a molecular weight of 655.88 g/mol. Its IUPAC name is (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide.

Molecular Properties

• Compound Name: (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide
• PubChem CID: 143355120
• Molecular Formula: C36H57N5O6
• Molecular Weight: 655.88 g/mol
• Exact Mass: 655.43
• IUPAC Name: (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide
• SMILES: CC(C)C(NC=O)C(=O)CCc1ccccc1.CNC(C(=O)N1CCC(C(C)C)[C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C(C)(C)C
• InChI: InChI=1S/C22H38N4O4.C14H19NO2/c1-12(2)14-9-10-26(21(30)18(24-6)22(3,4)5)16(14)20(29)25-15(11-13-7-8-13)17(27)19(23)28;1-11(2)14(15-10-16)13(17)9-8-12-6-4-3-5-7-12/h12-16,18,24H,7-11H2,1-6H3,(H2,23,28)(H,25,29);3-7,10-11,14H,8-9H2,1-2H3,(H,15,16)/t14?,15?,16-,18?;/m0./s1
• InChIKey: KYVWEUMOLJUWIE-QAYUPTJUSA-N
• XLogP: 2.79
• TPSA: 167.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.88
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide?

The IUPAC name of (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide (CID 143355120) is (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide.

What is the SMILES notation for (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide?

The canonical SMILES for (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide is CC(C)C(NC=O)C(=O)CCc1ccccc1.CNC(C(=O)N1CCC(C(C)C)[C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C(C)(C)C.

What is the InChIKey of (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide?

The InChIKey is KYVWEUMOLJUWIE-QAYUPTJUSA-N. The full InChI is InChI=1S/C22H38N4O4.C14H19NO2/c1-12(2)14-9-10-26(21(30)18(24-6)22(3,4)5)16(14)20(29)25-15(11-13-7-8-13)17(27)19(23)28;1-11(2)14(15-10-16)13(17)9-8-12-6-4-3-5-7-12/h12-16,18,24H,7-11H2,1-6H3,(H2,23,28)(H,25,29);3-7,10-11,14H,8-9H2,1-2H3,(H,15,16)/t14?,15?,16-,18?;/m0./s1.

What are the key properties of (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide?

(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide has a molecular weight of 655.88 g/mol, XLogP of 2.79, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-3-propan-2-ylpyrrolidine-2-carboxamide;N-(2-methyl-4-oxo-6-phenylhexan-3-yl)formamide is sourced from PubChem (CID 143355120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).