[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-thiophen-2-ylpropanoate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-thiophen-2-ylpropanoate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=CS4

InChI

InChI=1S/C21H28N2O4S/c1-13(27-18(24)5-4-17-3-2-6-28-17)19(25)22-20(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-3,6,13-16H,4-5,7-12H2,1H3,(H2,22,23,25,26)/t13-,14?,15?,16?,21?/m1/s1