2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid

C40H59N7O6 — CID 146637350

About 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid

2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 146637350) has the molecular formula C40H59N7O6 and a molecular weight of 733.96 g/mol. Its IUPAC name is 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
• PubChem CID: 146637350
• Molecular Formula: C40H59N7O6
• Molecular Weight: 733.96 g/mol
• Exact Mass: 733.45
• IUPAC Name: 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCCN)C(=O)N1CCC2(CC1)CC(N)(C(=O)O)C2
• InChI: InChI=1S/C40H59N7O6/c1-27(2)22-32(46-36(50)33(24-29-14-8-4-9-15-29)45-34(48)30(42)23-28-12-6-3-7-13-28)35(49)44-31(16-10-5-11-19-41)37(51)47-20-17-39(18-21-47)25-40(43,26-39)38(52)53/h3-4,6-9,12-15,27,30-33H,5,10-11,16-26,41-43H2,1-2H3,(H,44,49)(H,45,48)(H,46,50)(H,52,53)/t30-,31-,32-,33-/m1/s1
• InChIKey: LXYDKDJFNWBSRO-XEXPGFJZSA-N
• XLogP: 2.00
• TPSA: 222.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.96
LogP ≤ 5	2.00
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 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid?

The IUPAC name of 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid (CID 146637350) is 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid.

What is the SMILES notation for 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid?

The canonical SMILES for 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid is CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCCN)C(=O)N1CCC2(CC1)CC(N)(C(=O)O)C2.

What is the InChIKey of 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid?

The InChIKey is LXYDKDJFNWBSRO-XEXPGFJZSA-N. The full InChI is InChI=1S/C40H59N7O6/c1-27(2)22-32(46-36(50)33(24-29-14-8-4-9-15-29)45-34(48)30(42)23-28-12-6-3-7-13-28)35(49)44-31(16-10-5-11-19-41)37(51)47-20-17-39(18-21-47)25-40(43,26-39)38(52)53/h3-4,6-9,12-15,27,30-33H,5,10-11,16-26,41-43H2,1-2H3,(H,44,49)(H,45,48)(H,46,50)(H,52,53)/t30-,31-,32-,33-/m1/s1.

What are the key properties of 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid?

2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 733.96 g/mol, XLogP of 2.00, 19 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[(2R)-7-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]heptanoyl]-7-azaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 146637350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).