(2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide

C41H45N3O6 — CID 157049356

About (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide

(2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide (PubChem CID 157049356) has the molecular formula C41H45N3O6 and a molecular weight of 675.83 g/mol. Its IUPAC name is (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide.

Molecular Properties

• Compound Name: (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide
• PubChem CID: 157049356
• Molecular Formula: C41H45N3O6
• Molecular Weight: 675.83 g/mol
• Exact Mass: 675.33
• IUPAC Name: (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide
• SMILES: CC(C)C[C@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C)C(=O)C(=O)NCC(=O)C[C@@H](Cc1ccc2ccccc2c1)C(N)=O
• InChI: InChI=1S/C41H45N3O6/c1-26(2)19-35(24-36(45)22-28-13-16-32(17-14-28)30-9-5-4-6-10-30)40(49)44-27(3)38(47)41(50)43-25-37(46)23-34(39(42)48)21-29-15-18-31-11-7-8-12-33(31)20-29/h4-18,20,26-27,34-35H,19,21-25H2,1-3H3,(H2,42,48)(H,43,50)(H,44,49)/t27?,34-,35-/m1/s1
• InChIKey: AAACGJAFCNKIDT-IFOUXJNVSA-N
• XLogP: 5.16
• TPSA: 152.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.83
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide?

The IUPAC name of (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide (CID 157049356) is (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide.

What is the SMILES notation for (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide?

The canonical SMILES for (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide is CC(C)C[C@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C)C(=O)C(=O)NCC(=O)C[C@@H](Cc1ccc2ccccc2c1)C(N)=O.

What is the InChIKey of (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide?

The InChIKey is AAACGJAFCNKIDT-IFOUXJNVSA-N. The full InChI is InChI=1S/C41H45N3O6/c1-26(2)19-35(24-36(45)22-28-13-16-32(17-14-28)30-9-5-4-6-10-30)40(49)44-27(3)38(47)41(50)43-25-37(46)23-34(39(42)48)21-29-15-18-31-11-7-8-12-33(31)20-29/h4-18,20,26-27,34-35H,19,21-25H2,1-3H3,(H2,42,48)(H,43,50)(H,44,49)/t27?,34-,35-/m1/s1.

What are the key properties of (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide?

(2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide has a molecular weight of 675.83 g/mol, XLogP of 5.16, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-[[(4R)-5-amino-4-(naphthalen-2-ylmethyl)-2,5-dioxopentyl]amino]-3,4-dioxobutan-2-yl]-2-(2-methylpropyl)-4-oxo-5-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 157049356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).