2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid

C34H61N9O11 — CID 163079207

About 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid

2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid (PubChem CID 163079207) has the molecular formula C34H61N9O11 and a molecular weight of 771.91 g/mol. Its IUPAC name is 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid
• PubChem CID: 163079207
• Molecular Formula: C34H61N9O11
• Molecular Weight: 771.91 g/mol
• Exact Mass: 771.45
• IUPAC Name: 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid
• SMILES: CCC(C)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)CN)C(C)C)C(=O)O
• InChI: InChI=1S/C34H61N9O11/c1-9-19(8)28(34(53)54)42-26(47)14-37-29(48)20(10-16(2)3)39-30(49)22(12-24(36)45)40-32(51)23(15-44)41-33(52)27(18(6)7)43-31(50)21(11-17(4)5)38-25(46)13-35/h16-23,27-28,44H,9-15,35H2,1-8H3,(H2,36,45)(H,37,48)(H,38,46)(H,39,49)(H,40,51)(H,41,52)(H,42,47)(H,43,50)(H,53,54)
• InChIKey: YRTGHKLCSZIWFO-UHFFFAOYSA-N
• XLogP: -3.28
• TPSA: 330.34 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	771.91
LogP ≤ 5	-3.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid?

The IUPAC name of 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid (CID 163079207) is 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid.

What is the SMILES notation for 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid?

The canonical SMILES for 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)CN)C(C)C)C(=O)O.

What is the InChIKey of 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid?

The InChIKey is YRTGHKLCSZIWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H61N9O11/c1-9-19(8)28(34(53)54)42-26(47)14-37-29(48)20(10-16(2)3)39-30(49)22(12-24(36)45)40-32(51)23(15-44)41-33(52)27(18(6)7)43-31(50)21(11-17(4)5)38-25(46)13-35/h16-23,27-28,44H,9-15,35H2,1-8H3,(H2,36,45)(H,37,48)(H,38,46)(H,39,49)(H,40,51)(H,41,52)(H,42,47)(H,43,50)(H,53,54).

What are the key properties of 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid?

2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid has a molecular weight of 771.91 g/mol, XLogP of -3.28, 25 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 163079207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).