methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptyl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[1-(benzyloxycarbonylamino)cycloheptanecarbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[1-(phenylmethoxycarbonylamino)cycloheptyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate Traditional Name: (2S)-2-[[1-(benzyloxycarbonylamino)cycloheptanecarbonyl]amino]propionic acid methyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1(CCCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)C1(CCCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N2O5/c1-15(17(23)26-2)21-18(24)20(12-8-3-4-9-13-20)22-19(25)27-14-16-10-6-5-7-11-16/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1