disodium (2S,5R,6R)-6-[(5-acetamido-6-oxidanidyl-6-oxidanylidene-hexanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: disodium (2S,5R,6R)-6-[(5-acetamido-6-oxidanidyl-6-oxidanylidene-hexanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: disodium (2S,5R,6R)-6-[(5-acetamido-6-oxido-6-oxo-hexanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: disodium (2S,5R,6R)-6-[(5-acetamido-6-oxido-1,6-dioxohexyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: disodium (2S,5R,6R)-6-[(5-acetamido-6-oxido-6-oxohexanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: disodium (2S,5R,6R)-6-[(5-acetamido-6-keto-6-oxido-hexanoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C16H21N3Na2O7S MolecularWeight: 445.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC(CCCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H23N3O7S.2Na/c1-7(20)17-8(14(23)24)5-4-6-9(21)18-10-12(22)19-11(15(25)26)16(2,3)27-13(10)19;;/h8,10-11,13H,4-6H2,1-3H3,(H,17,20)(H,18,21)(H,23,24)(H,25,26);;/q;2*+1/p-2/t8?,10-,11+,13-;;/m1../s1