3-[(3,3-dimethyl-6-oxidanyl-hexyl)amino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(3,3-dimethyl-6-oxidanyl-hexyl)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-[(6-hydroxy-3,3-dimethyl-hexyl)amino]-4-oxo-butanoic acid CAS Name: 3-[(6-hydroxy-3,3-dimethylhexyl)amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(6-hydroxy-3,3-dimethylhexyl)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-[(6-hydroxy-3,3-dimethyl-hexyl)amino]-4-keto-butyric acid Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6/c1-22(2,10-7-13-25)11-12-23-17(15-19(26)27)20(28)24-18(21(29)30-3)14-16-8-5-4-6-9-16/h4-6,8-9,17-18,23,25H,7,10-15H2,1-3H3,(H,24,28)(H,26,27)