2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid

C36H59N7O10 — CID 162873764

About 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid

2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid (PubChem CID 162873764) has the molecular formula C36H59N7O10 and a molecular weight of 749.91 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
• PubChem CID: 162873764
• Molecular Formula: C36H59N7O10
• Molecular Weight: 749.91 g/mol
• Exact Mass: 749.43
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
• SMILES: CCC(C)C(NC(=O)C(N)CO)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C)C(=O)O)C(C)C)C(C)O
• InChI: InChI=1S/C36H59N7O10/c1-9-20(6)28(42-30(46)24(37)17-44)34(50)40-26(16-23-13-11-10-12-14-23)32(48)43-29(22(8)45)35(51)39-25(15-18(2)3)31(47)41-27(19(4)5)33(49)38-21(7)36(52)53/h10-14,18-22,24-29,44-45H,9,15-17,37H2,1-8H3,(H,38,49)(H,39,51)(H,40,50)(H,41,47)(H,42,46)(H,43,48)(H,52,53)
• InChIKey: UUVCOJXKWUFAMD-UHFFFAOYSA-N
• XLogP: -1.31
• TPSA: 278.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.91
LogP ≤ 5	-1.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid?

The IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid (CID 162873764) is 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid.

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid?

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid is CCC(C)C(NC(=O)C(N)CO)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C)C(=O)O)C(C)C)C(C)O.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid?

The InChIKey is UUVCOJXKWUFAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59N7O10/c1-9-20(6)28(42-30(46)24(37)17-44)34(50)40-26(16-23-13-11-10-12-14-23)32(48)43-29(22(8)45)35(51)39-25(15-18(2)3)31(47)41-27(19(4)5)33(49)38-21(7)36(52)53/h10-14,18-22,24-29,44-45H,9,15-17,37H2,1-8H3,(H,38,49)(H,39,51)(H,40,50)(H,41,47)(H,42,46)(H,43,48)(H,52,53).

What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid?

2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid has a molecular weight of 749.91 g/mol, XLogP of -1.31, 22 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 162873764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).