(2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide

C24H42N4O5 — CID 163748260

About (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide

(2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide (PubChem CID 163748260) has the molecular formula C24H42N4O5 and a molecular weight of 466.62 g/mol. Its IUPAC name is (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 163748260
• Molecular Formula: C24H42N4O5
• Molecular Weight: 466.62 g/mol
• Exact Mass: 466.32
• IUPAC Name: (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide
• SMILES: CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)C(C)C)C(C)C
• InChI: InChI=1S/C24H42N4O5/c1-14(2)11-18(15(3)4)24(33)28-10-8-9-19(28)23(32)26-13-21(30)27-17(7)22(31)25-12-20(29)16(5)6/h14-19H,8-13H2,1-7H3,(H,25,31)(H,26,32)(H,27,30)/t17-,18-,19-/m0/s1
• InChIKey: LNTFYVYCNGIZEH-FHWLQOOXSA-N
• XLogP: 1.26
• TPSA: 124.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.62
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide (CID 163748260) is (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide is CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)C(C)C)C(C)C.

What is the InChIKey of (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide?

The InChIKey is LNTFYVYCNGIZEH-FHWLQOOXSA-N. The full InChI is InChI=1S/C24H42N4O5/c1-14(2)11-18(15(3)4)24(33)28-10-8-9-19(28)23(32)26-13-21(30)27-17(7)22(31)25-12-20(29)16(5)6/h14-19H,8-13H2,1-7H3,(H,25,31)(H,26,32)(H,27,30)/t17-,18-,19-/m0/s1.

What are the key properties of (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide?

(2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide has a molecular weight of 466.62 g/mol, XLogP of 1.26, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-[[(2S)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-1-[(2S)-4-methyl-2-propan-2-ylpentanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163748260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).