methyl (2S,3S)-3-methyl-2-phenylazanyl-pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-phenylazanyl-pentanoate Openeye Name: methyl (2S,3S)-2-anilino-3-methyl-pentanoate CAS Name: (2S,3S)-2-anilino-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-anilino-3-methylpentanoate Traditional Name: (2S,3S)-2-anilino-3-methyl-valeric acid methyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC1=CC=CC=C1

InChI

InChI=1S/C13H19NO2/c1-4-10(2)12(13(15)16-3)14-11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3/t10-,12-/m0/s1