[(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate CAS Name: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate Traditional Name: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CC2=C(N3C(=NC=N3)N=C2C)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)CC2=C(N3C(=NC=N3)N=C2C)C

InChI

InChI=1S/C22H27N5O3/c1-5-9-19(17-10-7-6-8-11-17)26-21(29)16(4)30-20(28)12-18-14(2)25-22-23-13-24-27(22)15(18)3/h6-8,10-11,13,16,19H,5,9,12H2,1-4H3,(H,26,29)/t16-,19+/m0/s1