(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid

C28H56N4O4 — CID 15984103

IUPAC(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C28H56N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26(33)31-24(19-15-17-22-29)27(34)32-25(28(35)36)20-16-18-23-30/h24-25H,2-23,29-30H2,1H3,(H,31,33)(H,32,34)(H,35,36)/t24-,25-/m0/s1
InChIKeyPXQUMMXGPFUACB-DQEYMECFSA-N
MW512.78 g/mol
LogP4.78
Rot. Bonds26

About (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid (PubChem CID 15984103) has the molecular formula C28H56N4O4 and a molecular weight of 512.78 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid
PubChem CID15984103
Molecular FormulaC28H56N4O4
Molecular Weight512.78 g/mol
Exact Mass512.43
IUPAC Name(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C28H56N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26(33)31-24(19-15-17-22-29)27(34)32-25(28(35)36)20-16-18-23-30/h24-25H,2-23,29-30H2,1H3,(H,31,33)(H,32,34)(H,35,36)/t24-,25-/m0/s1
InChIKeyPXQUMMXGPFUACB-DQEYMECFSA-N
XLogP4.78
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.78
LogP ≤ 54.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-Acetyl-L-Lysine
CID 92907
Lucinactant
CID 145722609
Suberylglycine
CID 6453952
Lauroyl Lysine
CID 104151
L-Ala-Gamma-D-Glu-Meso-Diaminopimelic Acid
CID 25203562
Dilysine
CID 128837
Ac-Leu-Leu-Norleucinol
CID 446403
Valyllysine
CID 168058
Lauroyl Arginine
CID 6451888
Palmitoyl Arginine
CID 11223678
Sodium Stearoyl Glutamate
CID 23688969
Sodium Myristoyl Glutamate
CID 56843039

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid (CID 15984103) is (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid is CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid?
The InChIKey is PXQUMMXGPFUACB-DQEYMECFSA-N. The full InChI is InChI=1S/C28H56N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26(33)31-24(19-15-17-22-29)27(34)32-25(28(35)36)20-16-18-23-30/h24-25H,2-23,29-30H2,1H3,(H,31,33)(H,32,34)(H,35,36)/t24-,25-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid?
(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid has a molecular weight of 512.78 g/mol, XLogP of 4.78, 26 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoic acid is sourced from PubChem (CID 15984103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).