[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1(CCCC1)C#N)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4/c1-13(20-17(25)21-14-7-3-2-4-8-14)16(24)26-11-15(23)22-18(12-19)9-5-6-10-18/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,22,23)(H2,20,21,25)/t13-/m0/s1