(phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)-5-pyridin-1-ium-1-yl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)-5-pyridin-1-ium-1-yl-pentanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-5-pyridin-1-ium-1-yl-pentanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-5-(1-pyridin-1-iumyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(phenylmethoxycarbonylamino)-5-pyridin-1-ium-1-ylpentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-pyridin-1-ium-1-yl-valeric acid benzyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC[N+]2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCC[N+]2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4/c28-24(30-19-21-11-4-1-5-12-21)23(15-10-18-27-16-8-3-9-17-27)26-25(29)31-20-22-13-6-2-7-14-22/h1-9,11-14,16-17,23H,10,15,18-20H2/p+1/t23-/m0/s1