(E)-8-(1-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbonylamino]oct-2-enoic acid

Systemtic Name: (E)-8-(1-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbonylamino]oct-2-enoic acid Openeye Name: (E)-8-(1-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid CAS Name: (E)-8-[(1-amino-3-hydroxy-3-oxopropyl)thio]-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-2-octenoic acid IUPAC Name: (E)-8-(1-amino-3-hydroxy-3-oxopropyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid Traditional Name: (E)-8-[(1-amino-3-hydroxy-3-keto-propyl)thio]-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid Formula: C17H28N2O5S MolecularWeight: 372.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCCCSC(CC(=O)O)N)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C/CCCCCSC(CC(=O)O)N)/C(=O)O)C

InChI

InChI=1S/C17H28N2O5S/c1-17(2)10-11(17)15(22)19-12(16(23)24)7-5-3-4-6-8-25-13(18)9-14(20)21/h7,11,13H,3-6,8-10,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/b12-7+