3-[(3,3-dimethyl-5-oxidanyl-pentyl)amino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(3,3-dimethyl-5-oxidanyl-pentyl)amino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-3-[(5-hydroxy-3,3-dimethyl-pentyl)amino]-4-oxo-butanoic acid CAS Name: 3-[(5-hydroxy-3,3-dimethylpentyl)amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(5-hydroxy-3,3-dimethylpentyl)amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-3-[(5-hydroxy-3,3-dimethyl-pentyl)amino]-4-keto-butyric acid Formula: C21H32N2O6 MolecularWeight: 408.48858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC)CCO

Isomeric SMILES

CC(C)(CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC)CCO

InChI

InChI=1S/C21H32N2O6/c1-21(2,10-12-24)9-11-22-16(14-18(25)26)19(27)23-17(20(28)29-3)13-15-7-5-4-6-8-15/h4-8,16-17,22,24H,9-14H2,1-3H3,(H,23,27)(H,25,26)