[(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1R)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [(2R)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1R)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCC1)OC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O4S/c1-12(16(21)20-18(23)19-14-8-6-7-9-14)24-17(22)13(2)25-15-10-4-3-5-11-15/h3-5,10-14H,6-9H2,1-2H3,(H2,19,20,21,23)/t12-,13+/m1/s1