(2R)-4-[(2-bromophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-bromophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylazaniumyl)butanoate Openeye Name: (2R)-4-(2-bromoanilino)-2-(3-isopropoxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(2-bromoanilino)-4-oxo-2-(3-propan-2-yloxypropylammonio)butanoate IUPAC Name: (2R)-4-(2-bromoanilino)-4-oxo-2-(3-propan-2-yloxypropylazaniumyl)butanoate Traditional Name: (2R)-4-(2-bromoanilino)-2-(3-isopropoxypropylammonio)-4-keto-butyrate Formula: C16H23BrN2O4 MolecularWeight: 387.26882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]C(CC(=O)NC1=CC=CC=C1Br)C(=O)[O-]

Isomeric SMILES

CC(C)OCCC[NH2+][C@H](CC(=O)NC1=CC=CC=C1Br)C(=O)[O-]

InChI

InChI=1S/C16H23BrN2O4/c1-11(2)23-9-5-8-18-14(16(21)22)10-15(20)19-13-7-4-3-6-12(13)17/h3-4,6-7,11,14,18H,5,8-10H2,1-2H3,(H,19,20)(H,21,22)/t14-/m1/s1