(2S)-3,3,3-trideuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid hydrate

Systemtic Name: (2S)-3,3,3-trideuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid hydrate Openeye Name: (2S)-3,3,3-trideuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid hydrate CAS Name: (2S)-3,3,3-trideuterio-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid hydrate IUPAC Name: (2S)-3,3,3-trideuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid hydrate Traditional Name: (2S)-3,3,3-trideuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid hydrate Formula: C18H19NO5 MolecularWeight: 332.365645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O

Isomeric SMILES

[2H]C([2H])([2H])[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.O

InChI

InChI=1S/C18H17NO4.H2O/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16;/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21);1H2/t11-;/m0./s1/i1D3;