methyl (2S)-2-oxidanyl-5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate

Systemtic Name: methyl (2S)-2-oxidanyl-5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate Openeye Name: methyl (2S)-5-(benzylamino)-2-hydroxy-5-oxo-pentanoate CAS Name: (2S)-2-hydroxy-5-oxo-5-[(phenylmethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(benzylamino)-2-hydroxy-5-oxopentanoate Traditional Name: (2S)-5-(benzylamino)-2-hydroxy-5-keto-valeric acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NCC1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-18-13(17)11(15)7-8-12(16)14-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H,14,16)/t11-/m0/s1