(E)-3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbonylamino]oct-2-enoic acid

Systemtic Name: (E)-3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbonylamino]oct-2-enoic acid Openeye Name: (E)-3-(2-amino-2-oxo-ethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid CAS Name: (E)-3-[(2-amino-2-oxoethyl)thio]-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-2-octenoic acid IUPAC Name: (E)-3-(2-amino-2-oxoethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid Traditional Name: (E)-3-[(2-amino-2-keto-ethyl)thio]-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C(C(=O)O)NC(=O)C1CC1(C)C)SCC(=O)N

Isomeric SMILES

CCCCC/C(=C(/C(=O)O)\NC(=O)C1CC1(C)C)/SCC(=O)N

InChI

InChI=1S/C16H26N2O4S/c1-4-5-6-7-11(23-9-12(17)19)13(15(21)22)18-14(20)10-8-16(10,2)3/h10H,4-9H2,1-3H3,(H2,17,19)(H,18,20)(H,21,22)/b13-11+