(Z)-7-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbonylamino]hept-2-enoic acid

Systemtic Name: (Z)-7-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbonylamino]hept-2-enoic acid Openeye Name: (Z)-7-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid CAS Name: (Z)-7-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-2-heptenoic acid IUPAC Name: (Z)-7-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid Traditional Name: (Z)-7-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCCCCC=C(C(=O)O)NC(=O)C1CC1(C)C)C(=O)O

Isomeric SMILES

CC(=O)NC(CSCCCC/C=C(/C(=O)O)\NC(=O)C1CC1(C)C)C(=O)O

InChI

InChI=1S/C18H28N2O6S/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)/b13-7-