(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide

C15H30N6O4 — CID 46229369

IUPAC(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C15H30N6O4/c1-8(17)13(23)19-9(2)14(24)20-10(3)15(25)21-11(12(18)22)6-4-5-7-16/h8-11H,4-7,16-17H2,1-3H3,(H2,18,22)(H,19,23)(H,20,24)(H,21,25)/t8-,9-,10-,11-/m0/s1
InChIKeyLVGUZFPXUFGRLZ-NAKRPEOUSA-N
MW358.44 g/mol
LogP-2.56
Rot. Bonds11

About (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide (PubChem CID 46229369) has the molecular formula C15H30N6O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide
PubChem CID46229369
Molecular FormulaC15H30N6O4
Molecular Weight358.44 g/mol
Exact Mass358.23
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C15H30N6O4/c1-8(17)13(23)19-9(2)14(24)20-10(3)15(25)21-11(12(18)22)6-4-5-7-16/h8-11H,4-7,16-17H2,1-3H3,(H2,18,22)(H,19,23)(H,20,24)(H,21,25)/t8-,9-,10-,11-/m0/s1
InChIKeyLVGUZFPXUFGRLZ-NAKRPEOUSA-N
XLogP-2.56
TPSA182.43 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 5-2.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide?
The IUPAC name of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide (CID 46229369) is (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide.
What is the SMILES notation for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide?
The canonical SMILES for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide is C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(N)=O.
What is the InChIKey of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide?
The InChIKey is LVGUZFPXUFGRLZ-NAKRPEOUSA-N. The full InChI is InChI=1S/C15H30N6O4/c1-8(17)13(23)19-9(2)14(24)20-10(3)15(25)21-11(12(18)22)6-4-5-7-16/h8-11H,4-7,16-17H2,1-3H3,(H2,18,22)(H,19,23)(H,20,24)(H,21,25)/t8-,9-,10-,11-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide?
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide has a molecular weight of 358.44 g/mol, XLogP of -2.56, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanamide is sourced from PubChem (CID 46229369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).