(2R)-2-(3-azanylpropylamino)-4-[(2-bromophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(3-azanylpropylamino)-4-[(2-bromophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-aminopropylamino)-4-(2-bromoanilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(3-aminopropylamino)-4-(2-bromoanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-aminopropylamino)-4-(2-bromoanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-aminopropylamino)-4-(2-bromoanilino)-4-keto-butyric acid Formula: C13H18BrN3O3 MolecularWeight: 344.20432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C[C@H](C(=O)O)NCCCN)Br

InChI

InChI=1S/C13H18BrN3O3/c14-9-4-1-2-5-10(9)17-12(18)8-11(13(19)20)16-7-3-6-15/h1-2,4-5,11,16H,3,6-8,15H2,(H,17,18)(H,19,20)/t11-/m1/s1