(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride

C31H51ClN8O8 — CID 57365340

About (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride

(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride (PubChem CID 57365340) has the molecular formula C31H51ClN8O8 and a molecular weight of 699.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride
• PubChem CID: 57365340
• Molecular Formula: C31H51ClN8O8
• Molecular Weight: 699.25 g/mol
• Exact Mass: 698.35
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride
• SMILES: Cl.NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C31H50N8O8.ClH/c32-16-4-1-7-23(36-28(43)22(35)19-20-10-12-21(40)13-11-20)29(44)37-24(8-2-5-17-33)30(45)38-25(9-3-6-18-34)31(46)47-39-26(41)14-15-27(39)42;/h10-13,22-25,40H,1-9,14-19,32-35H2,(H,36,43)(H,37,44)(H,38,45);1H/t22-,23-,24-,25-;/m0./s1
• InChIKey: KADUFSCZUWDVHG-NATPOTRJSA-N
• XLogP: -0.87
• TPSA: 275.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	699.25
LogP ≤ 5	-0.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride (CID 57365340) is (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride is Cl.NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride?

The InChIKey is KADUFSCZUWDVHG-NATPOTRJSA-N. The full InChI is InChI=1S/C31H50N8O8.ClH/c32-16-4-1-7-23(36-28(43)22(35)19-20-10-12-21(40)13-11-20)29(44)37-24(8-2-5-17-33)30(45)38-25(9-3-6-18-34)31(46)47-39-26(41)14-15-27(39)42;/h10-13,22-25,40H,1-9,14-19,32-35H2,(H,36,43)(H,37,44)(H,38,45);1H/t22-,23-,24-,25-;/m0./s1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride?

(2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride has a molecular weight of 699.25 g/mol, XLogP of -0.87, 22 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride is sourced from PubChem (CID 57365340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).