methyl 3-(4-cyanophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate

Systemtic Name: methyl 3-(4-cyanophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate Openeye Name: methyl 3-(4-cyanophenyl)-3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propanoate CAS Name: 3-(4-cyanophenyl)-3-[[(2S)-3-methyl-1-oxo-2-[[oxo(propan-2-yloxy)methyl]amino]butyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-cyanophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate Traditional Name: 3-(4-cyanophenyl)-3-[[(2S)-2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propionic acid methyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)C#N)NC(=O)OC(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)OC)C1=CC=C(C=C1)C#N)NC(=O)OC(C)C

InChI

InChI=1S/C20H27N3O5/c1-12(2)18(23-20(26)28-13(3)4)19(25)22-16(10-17(24)27-5)15-8-6-14(11-21)7-9-15/h6-9,12-13,16,18H,10H2,1-5H3,(H,22,25)(H,23,26)/t16?,18-/m0/s1