(1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (1-cyanoindolizin-2-yl)methyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3/c1-16(2)22(25-21(27)12-17-8-4-3-5-9-17)23(28)29-15-18-14-26-11-7-6-10-20(26)19(18)13-24/h3-11,14,16,22H,12,15H2,1-2H3,(H,25,27)/t22-/m0/s1