methyl (3S)-3-(2-chlorophenyl)-3-[2-(cyclohexylcarbonylamino)ethanoylamino]propanoate

Systemtic Name: methyl (3S)-3-(2-chlorophenyl)-3-[2-(cyclohexylcarbonylamino)ethanoylamino]propanoate Openeye Name: methyl (3S)-3-(2-chlorophenyl)-3-[[2-(cyclohexanecarbonylamino)acetyl]amino]propanoate CAS Name: (3S)-3-(2-chlorophenyl)-3-[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(2-chlorophenyl)-3-[[2-(cyclohexanecarbonylamino)acetyl]amino]propanoate Traditional Name: (3S)-3-(2-chlorophenyl)-3-[[2-(cyclohexanecarbonylamino)acetyl]amino]propionic acid methyl ester Formula: C19H25ClN2O4 MolecularWeight: 380.8658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CNC(=O)C2CCCCC2

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1Cl)NC(=O)CNC(=O)C2CCCCC2

InChI

InChI=1S/C19H25ClN2O4/c1-26-18(24)11-16(14-9-5-6-10-15(14)20)22-17(23)12-21-19(25)13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3,(H,21,25)(H,22,23)/t16-/m0/s1