[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC1=CC=CS1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCC1=CC=CS1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S/c1-15(2)20(23-18(24)13-16-7-4-3-5-8-16)21(26)27-14-19(25)22-11-10-17-9-6-12-28-17/h3-9,12,15,20H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,24)/t20-/m0/s1