(2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[3-(3-methylphenoxy)-1-oxopropyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-10(2)14(15(18)19)16-13(17)7-8-20-12-6-4-5-11(3)9-12/h4-6,9-10,14H,7-8H2,1-3H3,(H,16,17)(H,18,19)/t14-/m0/s1