(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide

C39H57N7O6 — CID 175680508

About (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide

(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide (PubChem CID 175680508) has the molecular formula C39H57N7O6 and a molecular weight of 719.93 g/mol. Its IUPAC name is (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide.

Molecular Properties

• Compound Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide
• PubChem CID: 175680508
• Molecular Formula: C39H57N7O6
• Molecular Weight: 719.93 g/mol
• Exact Mass: 719.44
• IUPAC Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide
• SMILES: CCC(=O)C(=O)N1CCC(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1
• InChI: InChI=1S/C39H57N7O6/c1-4-34(47)39(52)46-21-18-29(19-22-46)42-36(49)31(17-11-12-20-40)43-37(50)32(23-26(2)3)45-38(51)33(25-28-15-9-6-10-16-28)44-35(48)30(41)24-27-13-7-5-8-14-27/h5-10,13-16,26,29-33H,4,11-12,17-25,40-41H2,1-3H3,(H,42,49)(H,43,50)(H,44,48)(H,45,51)/t30-,31-,32-,33-/m1/s1
• InChIKey: JAVUPDBCFTZTIE-XEXPGFJZSA-N
• XLogP: 1.51
• TPSA: 205.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.93
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide?

The IUPAC name of (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide (CID 175680508) is (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide.

What is the SMILES notation for (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide?

The canonical SMILES for (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide is CCC(=O)C(=O)N1CCC(NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccccc2)CC1.

What is the InChIKey of (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide?

The InChIKey is JAVUPDBCFTZTIE-XEXPGFJZSA-N. The full InChI is InChI=1S/C39H57N7O6/c1-4-34(47)39(52)46-21-18-29(19-22-46)42-36(49)31(17-11-12-20-40)43-37(50)32(23-26(2)3)45-38(51)33(25-28-15-9-6-10-16-28)44-35(48)30(41)24-27-13-7-5-8-14-27/h5-10,13-16,26,29-33H,4,11-12,17-25,40-41H2,1-3H3,(H,42,49)(H,43,50)(H,44,48)(H,45,51)/t30-,31-,32-,33-/m1/s1.

What are the key properties of (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide?

(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide has a molecular weight of 719.93 g/mol, XLogP of 1.51, 20 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-(2-oxobutanoyl)piperidin-4-yl]hexanamide is sourced from PubChem (CID 175680508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).