(E)-8-[(2,2-dimethylcyclopropyl)carbonylamino]-8-(3-oxidanylpropylamino)oct-2-enoic acid

Systemtic Name: (E)-8-[(2,2-dimethylcyclopropyl)carbonylamino]-8-(3-oxidanylpropylamino)oct-2-enoic acid Openeye Name: (E)-8-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-(3-hydroxypropylamino)oct-2-enoic acid CAS Name: (E)-8-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-8-(3-hydroxypropylamino)-2-octenoic acid IUPAC Name: (E)-8-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-(3-hydroxypropylamino)oct-2-enoic acid Traditional Name: (E)-8-[(2,2-dimethylcyclopropanecarbonyl)amino]-8-(3-hydroxypropylamino)oct-2-enoic acid Formula: C17H30N2O4 MolecularWeight: 326.4311

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(CCCCC=CC(=O)O)NCCCO)C

Isomeric SMILES

CC1(CC1C(=O)NC(CCCC/C=C/C(=O)O)NCCCO)C

InChI

InChI=1S/C17H30N2O4/c1-17(2)12-13(17)16(23)19-14(18-10-7-11-20)8-5-3-4-6-9-15(21)22/h6,9,13-14,18,20H,3-5,7-8,10-12H2,1-2H3,(H,19,23)(H,21,22)/b9-6+