[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-[(3aR,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate

Systemtic Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-[(3aR,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Openeye Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate CAS Name: 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Traditional Name: 3-[(3aR,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propionic acid [2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C20H30N2O5 MolecularWeight: 378.4626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)CCN2C(=O)C3CCCCC3C2=O

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O

InChI

InChI=1S/C20H30N2O5/c1-13-6-2-5-9-16(13)21-17(23)12-27-18(24)10-11-22-19(25)14-7-3-4-8-15(14)20(22)26/h13-16H,2-12H2,1H3,(H,21,23)/t13-,14-,15+,16+/m0/s1