2-[(4-tert-butylphenyl)-[2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)-[2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid Openeye Name: 2-(4-tert-butyl-N-[2-[(2-ethoxy-1-methyl-2-oxo-ethyl)amino]-4-methylsulfanyl-butanoyl]anilino)propanoic acid CAS Name: 2-(4-tert-butyl-N-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-(methylthio)-1-oxobutyl]anilino)propanoic acid IUPAC Name: 2-(4-tert-butyl-N-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methylsulfanylbutanoyl]anilino)propanoic acid Traditional Name: 2-(4-tert-butyl-N-[2-[(2-ethoxy-2-keto-1-methyl-ethyl)amino]-4-(methylthio)butanoyl]anilino)propionic acid Formula: C23H36N2O5S MolecularWeight: 452.60734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(CCSC)C(=O)N(C1=CC=C(C=C1)C(C)(C)C)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(C)NC(CCSC)C(=O)N(C1=CC=C(C=C1)C(C)(C)C)C(C)C(=O)O

InChI

InChI=1S/C23H36N2O5S/c1-8-30-22(29)15(2)24-19(13-14-31-7)20(26)25(16(3)21(27)28)18-11-9-17(10-12-18)23(4,5)6/h9-12,15-16,19,24H,8,13-14H2,1-7H3,(H,27,28)