3-(4-cyanophenyl)-3-[[3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-(4-cyanophenyl)-3-[[3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 3-(4-cyanophenyl)-3-[[2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propanoic acid CAS Name: 3-(4-cyanophenyl)-3-[[3-methyl-1-oxo-2-[[oxo(propan-2-yloxy)methyl]amino]butyl]amino]propanoic acid IUPAC Name: 3-(4-cyanophenyl)-3-[[3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 3-(4-cyanophenyl)-3-[[2-(isopropoxycarbonylamino)-3-methyl-butanoyl]amino]propionic acid Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5/c1-11(2)17(22-19(26)27-12(3)4)18(25)21-15(9-16(23)24)14-7-5-13(10-20)6-8-14/h5-8,11-12,15,17H,9H2,1-4H3,(H,21,25)(H,22,26)(H,23,24)