(S)-2-Amino-N-methylcarbamoylmethyl-4-((1R,5S)-5,9,9-trimethyl-2,4-dioxa-3-bora-tricyclo[6.1.1.0*1,5*]dec-3-yl)-butyramide

ID: ALA432771

Chembl Id: CHEMBL432771

PubChem CID: 44319768

Max Phase: Preclinical

Molecular Formula: C17H30BN3O4

Molecular Weight: 351.26

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CNC(=O)CNC(=O)[C@@H](N)CCB1O[C@@]2(C)CCC3C[C@@]2(O1)C3(C)C

Standard InChI:  InChI=1S/C17H30BN3O4/c1-15(2)11-5-7-16(3)17(15,9-11)25-18(24-16)8-6-12(19)14(23)21-10-13(22)20-4/h11-12H,5-10,19H2,1-4H3,(H,20,22)(H,21,23)/t11?,12-,16-,17+/m0/s1

Standard InChI Key:  RDVHTKUNLQJSNG-JHXUIPSISA-N

Alternative Forms

1. Parent:

   

   ALA432771

   (2S)-2-amino-N-[2-(methylamino)-2-oxoethyl]-4-[(1R,5S)-5,9,9-trimethyl-2,4-dioxa-3-boratricyclo[6.1.1.01,5]decan-3-yl]butanamide

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

Calculated Properties

Molecular Weight: 351.26

Molecular Weight (Monoisotopic): 351.2329

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References

1. Decicco CP, Nelson DJ, Luo Y, Shen L, Horiuchi KY, Amsler KM, Foster LA, Spitz SM, Merrill JJ, Sizemore CF, Rogers KC, Copeland RA, Harpel MR..  (2001)  Glutamyl-gamma-boronate inhibitors of bacterial Glu-tRNA(Gln) amidotransferase.,  11  (18): [PMID:11549469] [10.1016/s0960-894x(01)00499-1]

Source

Source(1):

• Scientific Literature