3-[2-[(2-benzamido-3,3-dimethyl-butanoyl)amino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[(2-benzamido-3,3-dimethyl-butanoyl)amino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[(2-benzamido-3,3-dimethyl-butanoyl)amino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[(2-benzamido-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[(2-benzamido-3,3-dimethylbutanoyl)amino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[(2-benzamido-3,3-dimethyl-butanoyl)amino]propanoylamino]-4-keto-butyric acid Formula: C20H27N3O6 MolecularWeight: 405.44488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C(C(C)(C)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C=O)NC(=O)C(C(C)(C)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H27N3O6/c1-12(17(27)22-14(11-24)10-15(25)26)21-19(29)16(20(2,3)4)23-18(28)13-8-6-5-7-9-13/h5-9,11-12,14,16H,10H2,1-4H3,(H,21,29)(H,22,27)(H,23,28)(H,25,26)