[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate

Systemtic Name: [(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3,5-diacetamidobenzoate Openeye Name: [(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3,5-diacetamidobenzoate CAS Name: 3,5-diacetamidobenzoic acid [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate Traditional Name: 3,5-diacetamidobenzoic acid [(1S)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

InChI

InChI=1S/C21H29N3O5/c1-13(20(27)24-17-8-6-4-5-7-9-17)29-21(28)16-10-18(22-14(2)25)12-19(11-16)23-15(3)26/h10-13,17H,4-9H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t13-/m0/s1