sodium (2S)-6-methoxy-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: sodium (2S)-6-methoxy-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: sodium (2S)-2-(benzyloxycarbonylamino)-6-methoxy-6-oxo-hexanoate CAS Name: sodium (2S)-6-methoxy-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate IUPAC Name: sodium (2S)-6-methoxy-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: sodium (2S)-2-(benzyloxycarbonylamino)-6-keto-6-methoxy-hexanoate Formula: C15H18NNaO6 MolecularWeight: 331.29629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(=O)[O-])NC(=O)OCC1=CC=CC=C1.[Na+]

Isomeric SMILES

COC(=O)CCC[C@@H](C(=O)[O-])NC(=O)OCC1=CC=CC=C1.[Na+]

InChI

InChI=1S/C15H19NO6.Na/c1-21-13(17)9-5-8-12(14(18)19)16-15(20)22-10-11-6-3-2-4-7-11;/h2-4,6-7,12H,5,8-10H2,1H3,(H,16,20)(H,18,19);/q;+1/p-1/t12-;/m0./s1