(3S)-5-methoxy-5-oxidanylidene-3-[(phenylmethyl)amino]pentanoic acid

Systemtic Name: (3S)-5-methoxy-5-oxidanylidene-3-[(phenylmethyl)amino]pentanoic acid Openeye Name: (3S)-3-(benzylamino)-5-methoxy-5-oxo-pentanoic acid CAS Name: (3S)-5-methoxy-5-oxo-3-[(phenylmethyl)amino]pentanoic acid IUPAC Name: (3S)-3-(benzylamino)-5-methoxy-5-oxopentanoic acid Traditional Name: (3S)-3-(benzylamino)-5-keto-5-methoxy-valeric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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