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

Systemtic Name: (1R,3S,5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methyl-adamantane-1-carboxylic acid Openeye Name: (1R,3S,5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methyl-adamantane-1-carboxylic acid CAS Name: (1R,3S,5R,7S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-methyl-1-adamantanecarboxylic acid IUPAC Name: (1R,3S,5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methyladamantane-1-carboxylic acid Traditional Name: (1R,3S,5R,7S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methyl-adamantane-1-carboxylic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO4/c1-25-10-17-11-26(14-25,23(29)30)16-27(12-17,15-25)28-24(31)32-13-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,17,22H,10-16H2,1H3,(H,28,31)(H,29,30)/t17-,25+,26+,27-/m0/s1