(2S)-2-methyl-4-[[4-(2-methylpropanoylamino)phenyl]amino]-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-2-methyl-4-[[4-(2-methylpropanoylamino)phenyl]amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-2-methyl-4-[4-(2-methylpropanoylamino)anilino]-4-oxo-2-phenyl-butanoate CAS Name: (2S)-2-methyl-4-[4-[(2-methyl-1-oxopropyl)amino]anilino]-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-2-methyl-4-[4-(2-methylpropanoylamino)anilino]-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-[4-(isobutyrylamino)anilino]-4-keto-2-methyl-2-phenyl-butyrate Formula: C21H23N2O4- MolecularWeight: 367.41832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)CC(C)(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C[C@@](C)(C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H24N2O4/c1-14(2)19(25)23-17-11-9-16(10-12-17)22-18(24)13-21(3,20(26)27)15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)/p-1/t21-/m0/s1