(13S)-13-[(2S,3R)-3-isocyano-3-methyl-oxiran-2-yl]-13-oxidanyl-tridecanoic acid

Systemtic Name: (13S)-13-[(2S,3R)-3-isocyano-3-methyl-oxiran-2-yl]-13-oxidanyl-tridecanoic acid Openeye Name: (13S)-13-hydroxy-13-[(2S,3R)-3-isocyano-3-methyl-oxiran-2-yl]tridecanoic acid CAS Name: (13S)-13-hydroxy-13-[(2S,3R)-3-isocyano-3-methyl-2-oxiranyl]tridecanoic acid IUPAC Name: (13S)-13-hydroxy-13-[(2S,3R)-3-isocyano-3-methyloxiran-2-yl]tridecanoic acid Traditional Name: (13S)-13-hydroxy-13-[(2S,3R)-3-isocyano-3-methyl-oxiran-2-yl]tridecanoic acid Formula: C17H29NO4 MolecularWeight: 311.41646

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)C(CCCCCCCCCCCC(=O)O)O)[N+]#[C-]

Isomeric SMILES

C[C@@]1([C@@H](O1)[C@H](CCCCCCCCCCCC(=O)O)O)[N+]#[C-]

InChI

InChI=1S/C17H29NO4/c1-17(18-2)16(22-17)14(19)12-10-8-6-4-3-5-7-9-11-13-15(20)21/h14,16,19H,3-13H2,1H3,(H,20,21)/t14-,16-,17+/m0/s1