(2R)-4-[(4-dimethylaminophenyl)amino]-2-(3-methylbutylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-2-(3-methylbutylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-2-(isopentylamino)-4-oxo-butanoic acid CAS Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-methylbutylamino)-4-oxobutanoic acid IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-2-(3-methylbutylamino)-4-oxobutanoic acid Traditional Name: (2R)-4-[4-(dimethylamino)anilino]-2-(isoamylamino)-4-keto-butyric acid Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(CC(=O)NC1=CC=C(C=C1)N(C)C)C(=O)O

Isomeric SMILES

CC(C)CCN[C@H](CC(=O)NC1=CC=C(C=C1)N(C)C)C(=O)O

InChI

InChI=1S/C17H27N3O3/c1-12(2)9-10-18-15(17(22)23)11-16(21)19-13-5-7-14(8-6-13)20(3)4/h5-8,12,15,18H,9-11H2,1-4H3,(H,19,21)(H,22,23)/t15-/m1/s1