ethyl (2S,3R,4R)-3-methyl-4-oxidanyl-2-phenylazanyl-pentanoate

Systemtic Name: ethyl (2S,3R,4R)-3-methyl-4-oxidanyl-2-phenylazanyl-pentanoate Openeye Name: ethyl (2S,3R,4R)-2-anilino-4-hydroxy-3-methyl-pentanoate CAS Name: (2S,3R,4R)-2-anilino-4-hydroxy-3-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S,3R,4R)-2-anilino-4-hydroxy-3-methylpentanoate Traditional Name: (2S,3R,4R)-2-anilino-4-hydroxy-3-methyl-valeric acid ethyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C(C)O)NC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-4-18-14(17)13(10(2)11(3)16)15-12-8-6-5-7-9-12/h5-11,13,15-16H,4H2,1-3H3/t10-,11+,13-/m0/s1