(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine

C38H51N9O5 — CID 87288462

About (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine

(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine (PubChem CID 87288462) has the molecular formula C38H51N9O5 and a molecular weight of 713.88 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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine.

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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine
• PubChem CID: 87288462
• Molecular Formula: C38H51N9O5
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.40
• IUPAC Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NN=O.Cc1cn2ccccc2n1
• InChI: InChI=1S/C30H43N7O5.C8H8N2/c1-20(2)17-25(28(39)33-24(15-9-10-16-31)30(41)36-37-42)35-29(40)26(19-22-13-7-4-8-14-22)34-27(38)23(32)18-21-11-5-3-6-12-21;1-7-6-10-5-3-2-4-8(10)9-7/h3-8,11-14,20,23-26H,9-10,15-19,31-32H2,1-2H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41,42);2-6H,1H3/t23-,24-,25-,26-;/m1./s1
• InChIKey: XAPZMFDOHSXRRT-OECAZJPBSA-N
• XLogP: 2.87
• TPSA: 215.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.88
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine?

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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine (CID 87288462) is (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine.

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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine?

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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine is CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NN=O.Cc1cn2ccccc2n1.

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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine?

The InChIKey is XAPZMFDOHSXRRT-OECAZJPBSA-N. The full InChI is InChI=1S/C30H43N7O5.C8H8N2/c1-20(2)17-25(28(39)33-24(15-9-10-16-31)30(41)36-37-42)35-29(40)26(19-22-13-7-4-8-14-22)34-27(38)23(32)18-21-11-5-3-6-12-21;1-7-6-10-5-3-2-4-8(10)9-7/h3-8,11-14,20,23-26H,9-10,15-19,31-32H2,1-2H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41,42);2-6H,1H3/t23-,24-,25-,26-;/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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine?

(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-N-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine has a molecular weight of 713.88 g/mol, XLogP of 2.87, 18 rotatable bonds, 6 hydrogen bond donors, and 10 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-nitrosohexanamide;2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 87288462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).