disodium (2S)-2-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propanoate

Systemtic Name: disodium (2S)-2-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propanoate Openeye Name: disodium (2S)-2-[[1-[(2-oxido-2-oxo-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propanoate CAS Name: disodium (2S)-2-[[1-[[(2-oxido-2-oxoethyl)amino]-oxomethyl]cyclohexyl]amino]-3-phenylpropanoate IUPAC Name: disodium (2S)-2-[[1-[(2-oxido-2-oxoethyl)carbamoyl]cyclohexyl]amino]-3-phenylpropanoate Traditional Name: disodium (2S)-2-[[1-[(2-keto-2-oxido-ethyl)carbamoyl]cyclohexyl]amino]-3-phenyl-propionate Formula: C18H22N2Na2O5 MolecularWeight: 392.35722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC(=O)[O-])NC(CC2=CC=CC=C2)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC(=O)[O-])N[C@@H](CC2=CC=CC=C2)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H24N2O5.2Na/c21-15(22)12-19-17(25)18(9-5-2-6-10-18)20-14(16(23)24)11-13-7-3-1-4-8-13;;/h1,3-4,7-8,14,20H,2,5-6,9-12H2,(H,19,25)(H,21,22)(H,23,24);;/q;2*+1/p-2/t14-;;/m0../s1