5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

C24H33N7O7 — CID 18239454

About 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (PubChem CID 18239454) has the molecular formula C24H33N7O7 and a molecular weight of 531.57 g/mol. Its IUPAC name is 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 18239454
• Molecular Formula: C24H33N7O7
• Molecular Weight: 531.57 g/mol
• Exact Mass: 531.24
• IUPAC Name: 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O
• InChI: InChI=1S/C24H33N7O7/c1-12(25)21(34)31-18(10-13-11-28-15-5-3-2-4-14(13)15)23(36)29-16(6-8-19(26)32)22(35)30-17(24(37)38)7-9-20(27)33/h2-5,11-12,16-18,28H,6-10,25H2,1H3,(H2,26,32)(H2,27,33)(H,29,36)(H,30,35)(H,31,34)(H,37,38)
• InChIKey: PEUSJZZHRICLTH-UHFFFAOYSA-N
• XLogP: -1.87
• TPSA: 252.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.57
LogP ≤ 5	-1.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (CID 18239454) is 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)O.

What is the InChIKey of 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is PEUSJZZHRICLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O7/c1-12(25)21(34)31-18(10-13-11-28-15-5-3-2-4-14(13)15)23(36)29-16(6-8-19(26)32)22(35)30-17(24(37)38)7-9-20(27)33/h2-5,11-12,16-18,28H,6-10,25H2,1H3,(H2,26,32)(H2,27,33)(H,29,36)(H,30,35)(H,31,34)(H,37,38).

What are the key properties of 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 531.57 g/mol, XLogP of -1.87, 15 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 18239454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).