(5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7-dimethyl-adamantane-1-carboxylic acid

Systemtic Name: (5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7-dimethyl-adamantane-1-carboxylic acid Openeye Name: (5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7-dimethyl-adamantane-1-carboxylic acid CAS Name: (5R,7S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5,7-dimethyl-1-adamantanecarboxylic acid IUPAC Name: (5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7-dimethyladamantane-1-carboxylic acid Traditional Name: (5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,7-dimethyl-adamantane-1-carboxylic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O)C

Isomeric SMILES

C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O)C

InChI

InChI=1S/C28H31NO4/c1-25-12-26(2)14-27(13-25,23(30)31)17-28(15-25,16-26)29-24(32)33-11-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-10,22H,11-17H2,1-2H3,(H,29,32)(H,30,31)/t25-,26+,27?,28?