(2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-4-(5-chloro-2-methoxy-anilino)-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-(5-chloro-2-methoxyanilino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-4-(5-chloro-2-methoxy-anilino)-2-(3-isopropoxypropylammonio)-4-keto-butyrate Formula: C17H25ClN2O5 MolecularWeight: 372.8438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)[O-]

Isomeric SMILES

CC(C)OCCC[NH2+][C@H](CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)[O-]

InChI

InChI=1S/C17H25ClN2O5/c1-11(2)25-8-4-7-19-14(17(22)23)10-16(21)20-13-9-12(18)5-6-15(13)24-3/h5-6,9,11,14,19H,4,7-8,10H2,1-3H3,(H,20,21)(H,22,23)/t14-/m1/s1