(2S)-2-[(4-chlorophenyl)methylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(4-chlorophenyl)methylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(4-chlorophenyl)methylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[(4-chlorophenyl)methylamino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(4-chlorophenyl)methylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(4-chlorobenzyl)amino]-4-methyl-valeric acid Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NCC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H18ClNO2/c1-9(2)7-12(13(16)17)15-8-10-3-5-11(14)6-4-10/h3-6,9,12,15H,7-8H2,1-2H3,(H,16,17)/t12-/m0/s1