methyl (2S)-2-acetamido-6-[(4-bromophenyl)amino]hexanoate

Systemtic Name: methyl (2S)-2-acetamido-6-[(4-bromophenyl)amino]hexanoate Openeye Name: methyl (2S)-2-acetamido-6-(4-bromoanilino)hexanoate CAS Name: (2S)-2-acetamido-6-(4-bromoanilino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-6-(4-bromoanilino)hexanoate Traditional Name: (2S)-2-acetamido-6-(4-bromoanilino)hexanoic acid methyl ester Formula: C15H21BrN2O3 MolecularWeight: 357.24284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O3/c1-11(19)18-14(15(20)21-2)5-3-4-10-17-13-8-6-12(16)7-9-13/h6-9,14,17H,3-5,10H2,1-2H3,(H,18,19)/t14-/m0/s1