2-azanyl-4-(3,4-dimethylphenyl)butanoic acid; (2S)-2-azanyl-4-methyl-pentanoic acid

Systemtic Name: 2-azanyl-4-(3,4-dimethylphenyl)butanoic acid; (2S)-2-azanyl-4-methyl-pentanoic acid Openeye Name: 2-amino-4-(3,4-dimethylphenyl)butanoic acid; (2S)-2-amino-4-methyl-pentanoic acid CAS Name: 2-amino-4-(3,4-dimethylphenyl)butanoic acid; (2S)-2-amino-4-methylpentanoic acid IUPAC Name: 2-amino-4-(3,4-dimethylphenyl)butanoic acid; (2S)-2-amino-4-methylpentanoic acid Traditional Name: 2-amino-4-(3,4-dimethylphenyl)butyric acid; (2S)-2-amino-4-methyl-valeric acid Formula: C18H30N2O4 MolecularWeight: 338.4418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(C(=O)O)N)C.CC(C)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(C(=O)O)N)C.CC(C)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H17NO2.C6H13NO2/c1-8-3-4-10(7-9(8)2)5-6-11(13)12(14)15;1-4(2)3-5(7)6(8)9/h3-4,7,11H,5-6,13H2,1-2H3,(H,14,15);4-5H,3,7H2,1-2H3,(H,8,9)/t;5-/m.0/s1