methyl (2S)-3-(1-oxidanidyl-5-phenylmethoxy-pyridin-1-ium-2-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(1-oxidanidyl-5-phenylmethoxy-pyridin-1-ium-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(5-benzyloxy-1-oxido-pyridin-1-ium-2-yl)propanoate CAS Name: (2S)-3-(1-oxido-5-phenylmethoxy-2-pyridin-1-iumyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1-oxido-5-phenylmethoxypyridin-1-ium-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(5-benzoxy-1-oxido-pyridin-1-ium-2-yl)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C24H24N2O6 MolecularWeight: 436.45716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=[N+](C=C(C=C1)OCC2=CC=CC=C2)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=[N+](C=C(C=C1)OCC2=CC=CC=C2)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O6/c1-30-23(27)22(25-24(28)32-17-19-10-6-3-7-11-19)14-20-12-13-21(15-26(20)29)31-16-18-8-4-2-5-9-18/h2-13,15,22H,14,16-17H2,1H3,(H,25,28)/t22-/m0/s1