(2R)-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-isopropylanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-2-(3-methoxypropylammonio)-4-oxo-4-(4-propan-2-ylanilino)butanoate IUPAC Name: (2R)-2-(3-methoxypropylazaniumyl)-4-oxo-4-(4-propan-2-ylanilino)butanoate Traditional Name: (2R)-4-cumidino-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCOC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCOC

InChI

InChI=1S/C17H26N2O4/c1-12(2)13-5-7-14(8-6-13)19-16(20)11-15(17(21)22)18-9-4-10-23-3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,19,20)(H,21,22)/t15-/m1/s1