(2S)-5-[(4-ethoxycarbonylphenyl)amino]-2-ethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-[(4-ethoxycarbonylphenyl)amino]-2-ethyl-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxo-pentanoic acid CAS Name: (2S)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoic acid IUPAC Name: (2S)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoic acid Traditional Name: (2S)-5-(4-carbethoxyanilino)-2-ethyl-5-keto-valeric acid Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)O

Isomeric SMILES

CC[C@@H](CCC(=O)NC1=CC=C(C=C1)C(=O)OCC)C(=O)O

InChI

InChI=1S/C16H21NO5/c1-3-11(15(19)20)7-10-14(18)17-13-8-5-12(6-9-13)16(21)22-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,18)(H,19,20)/t11-/m0/s1