2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid

C32H63N11O8 — CID 175724406

About 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid

2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid (PubChem CID 175724406) has the molecular formula C32H63N11O8 and a molecular weight of 729.92 g/mol. Its IUPAC name is 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid
• PubChem CID: 175724406
• Molecular Formula: C32H63N11O8
• Molecular Weight: 729.92 g/mol
• Exact Mass: 729.49
• IUPAC Name: 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid
• SMILES: CCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN)C(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C32H63N11O8/c1-2-3-11-22(29(48)39-19-26(44)38-20-27(45)46)41-32(51)25(14-9-18-36)43-31(50)24(13-5-7-16-34)42-30(49)23(12-4-6-15-33)40-28(47)21(37)10-8-17-35/h21-25H,2-20,33-37H2,1H3,(H,38,44)(H,39,48)(H,40,47)(H,41,51)(H,42,49)(H,43,50)(H,45,46)/t21-,22-,23-,24-,25-/m0/s1
• InChIKey: YTPZXYOJIZAOSZ-KEOOTSPTSA-N
• XLogP: -3.50
• TPSA: 342.00 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	729.92
LogP ≤ 5	-3.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid?

The IUPAC name of 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid (CID 175724406) is 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid.

What is the SMILES notation for 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid?

The canonical SMILES for 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid is CCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN)C(=O)NCC(=O)NCC(=O)O.

What is the InChIKey of 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid?

The InChIKey is YTPZXYOJIZAOSZ-KEOOTSPTSA-N. The full InChI is InChI=1S/C32H63N11O8/c1-2-3-11-22(29(48)39-19-26(44)38-20-27(45)46)41-32(51)25(14-9-18-36)43-31(50)24(13-5-7-16-34)42-30(49)23(12-4-6-15-33)40-28(47)21(37)10-8-17-35/h21-25H,2-20,33-37H2,1H3,(H,38,44)(H,39,48)(H,40,47)(H,41,51)(H,42,49)(H,43,50)(H,45,46)/t21-,22-,23-,24-,25-/m0/s1.

What are the key properties of 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid?

2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid has a molecular weight of 729.92 g/mol, XLogP of -3.50, 30 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentanoyl]amino]hexanoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 175724406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).