(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid

C30H46N8O10 — CID 11456662

About (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid (PubChem CID 11456662) has the molecular formula C30H46N8O10 and a molecular weight of 678.74 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
• PubChem CID: 11456662
• Molecular Formula: C30H46N8O10
• Molecular Weight: 678.74 g/mol
• Exact Mass: 678.33
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
• SMILES: CC(=O)N[C@@H](C)C(=O)N1CC(=O)C=C(N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C1
• InChI: InChI=1S/C30H46N8O10/c1-14(24(41)34-15(2)26(43)36-19(6)30(47)48)33-25(42)16(3)35-27(44)23-9-8-10-38(23)29(46)18(5)32-21-11-22(40)13-37(12-21)28(45)17(4)31-20(7)39/h11,14-19,23,32H,8-10,12-13H2,1-7H3,(H,31,39)(H,33,42)(H,34,41)(H,35,44)(H,36,43)(H,47,48)/t14-,15-,16-,17-,18-,19-,23+/m0/s1
• InChIKey: MNVJACVPJJUWBU-SYSPBHQXSA-N
• XLogP: -3.12
• TPSA: 252.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.74
LogP ≤ 5	-3.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid?

The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid (CID 11456662) is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid.

What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid?

The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid is CC(=O)N[C@@H](C)C(=O)N1CC(=O)C=C(N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C1.

What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid?

The InChIKey is MNVJACVPJJUWBU-SYSPBHQXSA-N. The full InChI is InChI=1S/C30H46N8O10/c1-14(24(41)34-15(2)26(43)36-19(6)30(47)48)33-25(42)16(3)35-27(44)23-9-8-10-38(23)29(46)18(5)32-21-11-22(40)13-37(12-21)28(45)17(4)31-20(7)39/h11,14-19,23,32H,8-10,12-13H2,1-7H3,(H,31,39)(H,33,42)(H,34,41)(H,35,44)(H,36,43)(H,47,48)/t14-,15-,16-,17-,18-,19-,23+/m0/s1.

What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid?

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid has a molecular weight of 678.74 g/mol, XLogP of -3.12, 14 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[1-[(2S)-2-acetamidopropanoyl]-5-oxo-2,6-dihydropyridin-3-yl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 11456662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).