3-(4-ethylphenyl)-3-[[3-methyl-2-(phenoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-(4-ethylphenyl)-3-[[3-methyl-2-(phenoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 3-(4-ethylphenyl)-3-[[3-methyl-2-(phenoxycarbonylamino)butanoyl]amino]propanoic acid CAS Name: 3-(4-ethylphenyl)-3-[[3-methyl-1-oxo-2-[[oxo(phenoxy)methyl]amino]butyl]amino]propanoic acid IUPAC Name: 3-(4-ethylphenyl)-3-[[3-methyl-2-(phenoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 3-[[2-(carbophenoxyamino)-3-methyl-butanoyl]amino]-3-(4-ethylphenyl)propionic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5/c1-4-16-10-12-17(13-11-16)19(14-20(26)27)24-22(28)21(15(2)3)25-23(29)30-18-8-6-5-7-9-18/h5-13,15,19,21H,4,14H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)