(2S)-2-acetamido-6-[(4-bromophenyl)amino]hexanoic acid

Systemtic Name: (2S)-2-acetamido-6-[(4-bromophenyl)amino]hexanoic acid Openeye Name: (2S)-2-acetamido-6-(4-bromoanilino)hexanoic acid CAS Name: (2S)-2-acetamido-6-(4-bromoanilino)hexanoic acid IUPAC Name: (2S)-2-acetamido-6-(4-bromoanilino)hexanoic acid Traditional Name: (2S)-2-acetamido-6-(4-bromoanilino)hexanoic acid Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC1=CC=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCNC1=CC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C14H19BrN2O3/c1-10(18)17-13(14(19)20)4-2-3-9-16-12-7-5-11(15)6-8-12/h5-8,13,16H,2-4,9H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1