(1S,3R,5S,7R)-3-acetamido-5-(2-carboxyethyl)-7-methyl-adamantane-1-carboxylic acid

Systemtic Name: (1S,3R,5S,7R)-3-acetamido-5-(2-carboxyethyl)-7-methyl-adamantane-1-carboxylic acid Openeye Name: (1S,3R,5S,7R)-3-acetamido-5-(2-carboxyethyl)-7-methyl-adamantane-1-carboxylic acid CAS Name: (1S,3R,5S,7R)-3-acetamido-5-(2-carboxyethyl)-7-methyl-1-adamantanecarboxylic acid IUPAC Name: (1S,3R,5S,7R)-3-acetamido-5-(2-carboxyethyl)-7-methyladamantane-1-carboxylic acid Traditional Name: (1S,3R,5S,7R)-3-acetamido-5-(2-carboxyethyl)-7-methyl-adamantane-1-carboxylic acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3(CC(C1)(CC(C3)(C2)C(=O)O)CCC(=O)O)C

Isomeric SMILES

CC(=O)N[C@]12C[C@@]3(C[C@](C1)(C[C@@](C3)(C2)C(=O)O)CCC(=O)O)C

InChI

InChI=1S/C17H25NO5/c1-11(19)18-17-7-14(2)5-15(9-17,4-3-12(20)21)8-16(6-14,10-17)13(22)23/h3-10H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/t14-,15+,16+,17-/m1/s1