(2S)-5-methoxy-5-oxidanylidene-2-[(phenylmethyl)amino]pentanoic acid

Systemtic Name: (2S)-5-methoxy-5-oxidanylidene-2-[(phenylmethyl)amino]pentanoic acid Openeye Name: (2S)-2-(benzylamino)-5-methoxy-5-oxo-pentanoic acid CAS Name: (2S)-5-methoxy-5-oxo-2-[(phenylmethyl)amino]pentanoic acid IUPAC Name: (2S)-2-(benzylamino)-5-methoxy-5-oxopentanoic acid Traditional Name: (2S)-2-(benzylamino)-5-keto-5-methoxy-valeric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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