(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid hydrate hydrochloride

Systemtic Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid hydrate hydrochloride Openeye Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid hydrate hydrochloride CAS Name: (2S)-1-[9H-fluoren-9-ylmethoxy(oxo)methyl]-2-piperazinecarboxylic acid hydrate hydrochloride IUPAC Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid hydrate hydrochloride Traditional Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid hydrate hydrochloride Formula: C20H23ClN2O5 MolecularWeight: 406.86002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.O.Cl

Isomeric SMILES

C1CN([C@@H](CN1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.O.Cl

InChI

InChI=1S/C20H20N2O4.ClH.H2O/c23-19(24)18-11-21-9-10-22(18)20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;;/h1-8,17-18,21H,9-12H2,(H,23,24);1H;1H2/t18-;;/m0../s1