disodium (2S)-2-[[2-hydroxyethyloxy(oxidanidyl)phosphoryl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: disodium (2S)-2-[[2-hydroxyethyloxy(oxidanidyl)phosphoryl]carbonylamino]-3-phenyl-propanoate Openeye Name: disodium (2S)-2-[[2-hydroxyethoxy(oxido)phosphoryl]carbonylamino]-3-phenyl-propanoate CAS Name: disodium (2S)-2-[[[2-hydroxyethoxy(oxido)phosphoryl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: disodium (2S)-2-[[2-hydroxyethoxy(oxido)phosphoryl]carbonylamino]-3-phenylpropanoate Traditional Name: disodium (2S)-2-[[2-hydroxyethoxy(oxido)phosphoryl]carbonylamino]-3-phenyl-propionate Formula: C12H14NNa2O7P MolecularWeight: 361.195361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)P(=O)([O-])OCCO.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)P(=O)([O-])OCCO.[Na+].[Na+]

InChI

InChI=1S/C12H16NO7P.2Na/c14-6-7-20-21(18,19)12(17)13-10(11(15)16)8-9-4-2-1-3-5-9;;/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)(H,18,19);;/q;2*+1/p-2/t10-;;/m0../s1