ID: ALA1795040

Max Phase: Preclinical

Molecular Formula: C16H28N4O8

Molecular Weight: 404.42

Molecule Type: Small molecule

Representations

Canonical SMILES:  C=C(C[C@@H](N)C(=O)O)C[C@@H](N)C(=O)O.C=C(C[C@H](N)C(=O)O)C[C@H](N)C(=O)O

Standard InChI:  InChI=1S/2C8H14N2O4/c2*1-4(2-5(9)7(11)12)3-6(10)8(13)14/h2*5-6H,1-3,9-10H2,(H,11,12)(H,13,14)/t2*5-,6-/m10/s1

Standard InChI Key:  SQNUFQCXVFGZAP-JLCFLTIHSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 404.42

Molecular Weight (Monoisotopic): 404.1907

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Girodeau JM, Agouridas C, Masson M, Pineau R, Le Goffic F..  (1986)  The lysine pathway as a target for a new genera of synthetic antibacterial antibiotics?,  29  (6): [PMID:3086556] [10.1021/jm00156a021]

Source

Source(1):

• Scientific Literature