(2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid

Systemtic Name: (2R)-4-[(3-methylphenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid Openeye Name: (2R)-2-(3-isopropoxypropylamino)-4-(3-methylanilino)-4-oxo-butanoic acid CAS Name: (2R)-4-(3-methylanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid IUPAC Name: (2R)-4-(3-methylanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid Traditional Name: (2R)-2-(3-isopropoxypropylamino)-4-keto-4-(m-toluidino)butyric acid Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)O)NCCCOC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@H](C(=O)O)NCCCOC(C)C

InChI

InChI=1S/C17H26N2O4/c1-12(2)23-9-5-8-18-15(17(21)22)11-16(20)19-14-7-4-6-13(3)10-14/h4,6-7,10,12,15,18H,5,8-9,11H2,1-3H3,(H,19,20)(H,21,22)/t15-/m1/s1