(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid

C22H43N7O6 — CID 11656297

About (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid (PubChem CID 11656297) has the molecular formula C22H43N7O6 and a molecular weight of 501.63 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid.

Molecular Properties

• Compound Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid
• PubChem CID: 11656297
• Molecular Formula: C22H43N7O6
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.33
• IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid
• SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O
• InChI: InChI=1S/C22H43N7O6/c1-3-13(2)18(26)21(33)29-16(12-17(25)30)20(32)27-14(8-4-6-10-23)19(31)28-15(22(34)35)9-5-7-11-24/h13-16,18H,3-12,23-24,26H2,1-2H3,(H2,25,30)(H,27,32)(H,28,31)(H,29,33)(H,34,35)/t13-,14-,15-,16-,18-/m0/s1
• InChIKey: RGQHWLLPYLODOT-DNCCFGNJSA-N
• XLogP: -1.97
• TPSA: 245.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	-1.97
H-Bond Donors ≤ 5	8
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 (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid?

The IUPAC name of (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid (CID 11656297) is (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid.

What is the SMILES notation for (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid?

The canonical SMILES for (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid is CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O.

What is the InChIKey of (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid?

The InChIKey is RGQHWLLPYLODOT-DNCCFGNJSA-N. The full InChI is InChI=1S/C22H43N7O6/c1-3-13(2)18(26)21(33)29-16(12-17(25)30)20(32)27-14(8-4-6-10-23)19(31)28-15(22(34)35)9-5-7-11-24/h13-16,18H,3-12,23-24,26H2,1-2H3,(H2,25,30)(H,27,32)(H,28,31)(H,29,33)(H,34,35)/t13-,14-,15-,16-,18-/m0/s1.

What are the key properties of (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid?

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid has a molecular weight of 501.63 g/mol, XLogP of -1.97, 19 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]hexanoic acid is sourced from PubChem (CID 11656297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).