(2S)-2-(methylazaniumyl)-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (2S)-2-(methylazaniumyl)-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (2S)-6-(benzyloxycarbonylamino)-2-(methylammonio)hexanoate CAS Name: (2S)-2-(methylammonio)-6-(phenylmethoxycarbonylamino)hexanoate IUPAC Name: (2S)-2-(methylazaniumyl)-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-(methylammonio)hexanoate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

C[NH2+][C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C15H22N2O4/c1-16-13(14(18)19)9-5-6-10-17-15(20)21-11-12-7-3-2-4-8-12/h2-4,7-8,13,16H,5-6,9-11H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1