sodium (2S)-2-[2-(2-oxidanylideneoctanoyl)hydrazinyl]-3-phenyl-propanoate

Systemtic Name: sodium (2S)-2-[2-(2-oxidanylideneoctanoyl)hydrazinyl]-3-phenyl-propanoate Openeye Name: sodium (2S)-2-[2-(2-oxooctanoyl)hydrazino]-3-phenyl-propanoate CAS Name: sodium (2S)-2-(1,2-dioxooctylhydrazo)-3-phenylpropanoate IUPAC Name: sodium (2S)-2-[2-(2-oxooctanoyl)hydrazinyl]-3-phenylpropanoate Traditional Name: sodium (2S)-2-[N'-(2-ketooctanoyl)hydrazino]-3-phenyl-propionate Formula: C17H23N2NaO4 MolecularWeight: 342.36529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C(=O)NNC(CC1=CC=CC=C1)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(=O)C(=O)NN[C@@H](CC1=CC=CC=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H24N2O4.Na/c1-2-3-4-8-11-15(20)16(21)19-18-14(17(22)23)12-13-9-6-5-7-10-13;/h5-7,9-10,14,18H,2-4,8,11-12H2,1H3,(H,19,21)(H,22,23);/q;+1/p-1/t14-;/m0./s1