(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid

C16H34N8O6 — CID 175773710

About (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid

(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid (PubChem CID 175773710) has the molecular formula C16H34N8O6 and a molecular weight of 434.50 g/mol. Its IUPAC name is (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid.

Molecular Properties

• Compound Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid
• PubChem CID: 175773710
• Molecular Formula: C16H34N8O6
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.26
• IUPAC Name: (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid
• SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCNN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)O
• InChI: InChI=1S/C16H34N8O6/c1-8(25)12(24-13(26)9(19)4-7-21-20)15(28)22-10(2-5-17)14(27)23-11(3-6-18)16(29)30/h8-12,21,25H,2-7,17-20H2,1H3,(H,22,28)(H,23,27)(H,24,26)(H,29,30)/t8-,9+,10+,11+,12+/m1/s1
• InChIKey: DTQHJLMQYHFXEP-DGORSVRFSA-N
• XLogP: -5.22
• TPSA: 260.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	-5.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid?

The IUPAC name of (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid (CID 175773710) is (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid.

What is the SMILES notation for (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid?

The canonical SMILES for (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCNN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)O.

What is the InChIKey of (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid?

The InChIKey is DTQHJLMQYHFXEP-DGORSVRFSA-N. The full InChI is InChI=1S/C16H34N8O6/c1-8(25)12(24-13(26)9(19)4-7-21-20)15(28)22-10(2-5-17)14(27)23-11(3-6-18)16(29)30/h8-12,21,25H,2-7,17-20H2,1H3,(H,22,28)(H,23,27)(H,24,26)(H,29,30)/t8-,9+,10+,11+,12+/m1/s1.

What are the key properties of (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid?

(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid has a molecular weight of 434.50 g/mol, XLogP of -5.22, 15 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-4-hydrazinylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]butanoic acid is sourced from PubChem (CID 175773710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).