1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid

C38H55N7O7 — CID 175675772

About 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid

1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid (PubChem CID 175675772) has the molecular formula C38H55N7O7 and a molecular weight of 721.90 g/mol. Its IUPAC name is 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid
• PubChem CID: 175675772
• Molecular Formula: C38H55N7O7
• Molecular Weight: 721.90 g/mol
• Exact Mass: 721.42
• IUPAC Name: 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid
• SMILES: CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1
• InChI: InChI=1S/C38H55N7O7/c1-25(2)22-30(33(47)42-29(16-10-11-19-39)36(50)45-20-17-38(40,18-21-45)37(51)52)43-35(49)32(24-28-14-8-5-9-15-28)44-34(48)31(41-26(3)46)23-27-12-6-4-7-13-27/h4-9,12-15,25,29-32H,10-11,16-24,39-40H2,1-3H3,(H,41,46)(H,42,47)(H,43,49)(H,44,48)(H,51,52)/t29-,30-,31-,32-/m1/s1
• InChIKey: FSNXNZUTMVMURI-SEVDZJIVSA-N
• XLogP: 1.01
• TPSA: 226.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.90
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid?

The IUPAC name of 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid (CID 175675772) is 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid.

What is the SMILES notation for 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid?

The canonical SMILES for 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid is CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1.

What is the InChIKey of 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid?

The InChIKey is FSNXNZUTMVMURI-SEVDZJIVSA-N. The full InChI is InChI=1S/C38H55N7O7/c1-25(2)22-30(33(47)42-29(16-10-11-19-39)36(50)45-20-17-38(40,18-21-45)37(51)52)43-35(49)32(24-28-14-8-5-9-15-28)44-34(48)31(41-26(3)46)23-27-12-6-4-7-13-27/h4-9,12-15,25,29-32H,10-11,16-24,39-40H2,1-3H3,(H,41,46)(H,42,47)(H,43,49)(H,44,48)(H,51,52)/t29-,30-,31-,32-/m1/s1.

What are the key properties of 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid?

1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid has a molecular weight of 721.90 g/mol, XLogP of 1.01, 19 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]-4-aminopiperidine-4-carboxylic acid is sourced from PubChem (CID 175675772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).