(R)-2-(Phenylselanyl)-4-Oxo-N-((S)-1-Phenylethyl)Azetidine-1-Carboxamide

ID: ALA4517710

PubChem CID: 155541131

Max Phase: Preclinical

Molecular Formula: C18H18N2O2Se

Molecular Weight: 373.31

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  C[C@H](NC(=O)N1C(=O)C[C@H]1[Se]c1ccccc1)c1ccccc1

Standard InChI:  InChI=1S/C18H18N2O2Se/c1-13(14-8-4-2-5-9-14)19-18(22)20-16(21)12-17(20)23-15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H,19,22)/t13-,17+/m0/s1

Standard InChI Key:  ABQDOSZAZFGQNJ-SUMWQHHRSA-N

Molfile:  

 
     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
   34.9204  -16.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9204  -17.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7418  -17.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.7418  -16.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3385  -17.6439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3237  -15.6586    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
   36.1081  -14.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6899  -14.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4789  -13.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6847  -13.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1016  -13.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3156  -14.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3237  -17.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1081  -18.4374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.1172  -17.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.6901  -19.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4835  -18.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0642  -19.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8571  -19.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0692  -18.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4824  -17.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6918  -18.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4800  -19.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  1  1  0
  2  5  2  0
  4  6  1  1
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  3 13  1  0
 13 14  1  0
 13 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 16 23  1  6
M  END

Alternative Forms

1. Parent:

   

   ALA4517710

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 373.31

Molecular Weight (Monoisotopic): 374.0533

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References

1. Kuskovsky R, Lloyd D, Arora K, Plotkin BJ, Green JM, Boshoff HI, Barry C, Deschamps J, Konaklieva MI..  (2019)  C4-Phenylthio β-lactams: Effect of the chirality of the β-lactam ring on antimicrobial activity.,  27  (20): [PMID:31474471] [10.1016/j.bmc.2019.115050]

Source

Source(1):

• Scientific Literature