5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid

C23H37N9O12 — CID 21293219

About 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid (PubChem CID 21293219) has the molecular formula C23H37N9O12 and a molecular weight of 631.60 g/mol. Its IUPAC name is 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid
• PubChem CID: 21293219
• Molecular Formula: C23H37N9O12
• Molecular Weight: 631.60 g/mol
• Exact Mass: 631.26
• IUPAC Name: 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid
• SMILES: CC(NC(=O)CNC(=O)C(N)CC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)O
• InChI: InChI=1S/C23H37N9O12/c1-9(19(39)27-8-17(36)31-12(23(43)44)3-4-14(25)33)30-22(42)13(6-15(26)34)32-20(40)10(2)29-16(35)7-28-21(41)11(24)5-18(37)38/h9-13H,3-8,24H2,1-2H3,(H2,25,33)(H2,26,34)(H,27,39)(H,28,41)(H,29,35)(H,30,42)(H,31,36)(H,32,40)(H,37,38)(H,43,44)
• InChIKey: ICOPBNBMMSUEOG-UHFFFAOYSA-N
• XLogP: -6.77
• TPSA: 361.40 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	631.60
LogP ≤ 5	-6.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid (CID 21293219) is 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid is CC(NC(=O)CNC(=O)C(N)CC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)O.

What is the InChIKey of 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid?

The InChIKey is ICOPBNBMMSUEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N9O12/c1-9(19(39)27-8-17(36)31-12(23(43)44)3-4-14(25)33)30-22(42)13(6-15(26)34)32-20(40)10(2)29-16(35)7-28-21(41)11(24)5-18(37)38/h9-13H,3-8,24H2,1-2H3,(H2,25,33)(H2,26,34)(H,27,39)(H,28,41)(H,29,35)(H,30,42)(H,31,36)(H,32,40)(H,37,38)(H,43,44).

What are the key properties of 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid?

5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid has a molecular weight of 631.60 g/mol, XLogP of -6.77, 20 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 21293219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).