(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

C20H35N7O9 — CID 88611259

About (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (PubChem CID 88611259) has the molecular formula C20H35N7O9 and a molecular weight of 517.54 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 88611259
• Molecular Formula: C20H35N7O9
• Molecular Weight: 517.54 g/mol
• Exact Mass: 517.25
• IUPAC Name: (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
• InChI: InChI=1S/C20H35N7O9/c1-9(2)16(27-17(32)10(21)8-28)19(34)24-7-15(31)25-11(3-5-13(22)29)18(33)26-12(20(35)36)4-6-14(23)30/h9-12,16,28H,3-8,21H2,1-2H3,(H2,22,29)(H2,23,30)(H,24,34)(H,25,31)(H,26,33)(H,27,32)(H,35,36)/t10-,11-,12-,16-/m0/s1
• InChIKey: YLTNJTBHGSNFTA-YWDSYVAPSA-N
• XLogP: -4.85
• TPSA: 286.13 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.54
LogP ≤ 5	-4.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid (CID 88611259) is (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O.

What is the InChIKey of (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

The InChIKey is YLTNJTBHGSNFTA-YWDSYVAPSA-N. The full InChI is InChI=1S/C20H35N7O9/c1-9(2)16(27-17(32)10(21)8-28)19(34)24-7-15(31)25-11(3-5-13(22)29)18(33)26-12(20(35)36)4-6-14(23)30/h9-12,16,28H,3-8,21H2,1-2H3,(H2,22,29)(H2,23,30)(H,24,34)(H,25,31)(H,26,33)(H,27,32)(H,35,36)/t10-,11-,12-,16-/m0/s1.

What are the key properties of (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid?

(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid has a molecular weight of 517.54 g/mol, XLogP of -4.85, 17 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 88611259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).