sodium 2-acetamido-3-[(Z)-6-[(2,2-dimethylcyclopropyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-hept-5-enyl]sulfanyl-propanoate

Systemtic Name: sodium 2-acetamido-3-[(Z)-6-[(2,2-dimethylcyclopropyl)carbonylamino]-7-oxidanyl-7-oxidanylidene-hept-5-enyl]sulfanyl-propanoate Openeye Name: sodium 2-acetamido-3-[(Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-oxo-hept-5-enyl]sulfanyl-propanoate CAS Name: sodium 2-acetamido-3-[[(Z)-6-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-7-hydroxy-7-oxohept-5-enyl]thio]propanoate IUPAC Name: sodium 2-acetamido-3-[(Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-oxohept-5-enyl]sulfanylpropanoate Traditional Name: sodium 2-acetamido-3-[[(Z)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-keto-hept-5-enyl]thio]propionate Formula: C18H27N2NaO6S MolecularWeight: 422.47155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCCCCC=C(C(=O)O)NC(=O)C1CC1(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC(CSCCCC/C=C(/C(=O)O)\NC(=O)C1CC1(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H28N2O6S.Na/c1-11(21)19-14(17(25)26)10-27-8-6-4-5-7-13(16(23)24)20-15(22)12-9-18(12,2)3;/h7,12,14H,4-6,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26);/q;+1/p-1/b13-7-;