(2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide

C24H44N6O4 — CID 129136542

IUPAC(2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@H](CC1=CNCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C24H44N6O4/c1-14(2)7-8-21(31)28-20(11-17-12-26-13-27-17)24(34)30-19(10-16(5)6)23(33)29-18(22(25)32)9-15(3)4/h12,14-16,18-20,26-27H,7-11,13H2,1-6H3,(H2,25,32)(H,28,31)(H,29,33)(H,30,34)/t18-,19-,20-/m0/s1
InChIKeyZBAGOWXJUIMMOR-UFYCRDLUSA-N
MW480.65 g/mol
LogP0.84
Rot. Bonds15

About (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide

(2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide (PubChem CID 129136542) has the molecular formula C24H44N6O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
PubChem CID129136542
Molecular FormulaC24H44N6O4
Molecular Weight480.65 g/mol
Exact Mass480.34
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
SMILESCC(C)CCC(=O)N[C@@H](CC1=CNCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C24H44N6O4/c1-14(2)7-8-21(31)28-20(11-17-12-26-13-27-17)24(34)30-19(10-16(5)6)23(33)29-18(22(25)32)9-15(3)4/h12,14-16,18-20,26-27H,7-11,13H2,1-6H3,(H2,25,32)(H,28,31)(H,29,33)(H,30,34)/t18-,19-,20-/m0/s1
InChIKeyZBAGOWXJUIMMOR-UFYCRDLUSA-N
XLogP0.84
TPSA154.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 50.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide (CID 129136542) is (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide is CC(C)CCC(=O)N[C@@H](CC1=CNCN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide?
The InChIKey is ZBAGOWXJUIMMOR-UFYCRDLUSA-N. The full InChI is InChI=1S/C24H44N6O4/c1-14(2)7-8-21(31)28-20(11-17-12-26-13-27-17)24(34)30-19(10-16(5)6)23(33)29-18(22(25)32)9-15(3)4/h12,14-16,18-20,26-27H,7-11,13H2,1-6H3,(H2,25,32)(H,28,31)(H,29,33)(H,30,34)/t18-,19-,20-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide?
(2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide has a molecular weight of 480.65 g/mol, XLogP of 0.84, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[(2S)-3-(2,3-dihydro-1H-imidazol-4-yl)-2-(4-methylpentanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide is sourced from PubChem (CID 129136542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).