sodium (2S)-3-[nitroso(phenylmethoxy)amino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: sodium (2S)-3-[nitroso(phenylmethoxy)amino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: sodium (2S)-2-(benzyloxycarbonylamino)-3-[benzyloxy(nitroso)amino]propanoate CAS Name: sodium (2S)-3-[nitroso(phenylmethoxy)amino]-2-(phenylmethoxycarbonylamino)propanoate IUPAC Name: sodium (2S)-3-[nitroso(phenylmethoxy)amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: sodium (2S)-3-[benzoxy(nitroso)amino]-2-(benzyloxycarbonylamino)propionate Formula: C18H18N3NaO6 MolecularWeight: 395.34179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CN(N=O)OCC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CN(N=O)OCC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H19N3O6.Na/c22-17(23)16(19-18(24)26-12-14-7-3-1-4-8-14)11-21(20-25)27-13-15-9-5-2-6-10-15;/h1-10,16H,11-13H2,(H,19,24)(H,22,23);/q;+1/p-1/t16-;/m0./s1