[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O4S/c1-14(21(27)24-12-18-3-2-4-29-18)28-20(26)13-23-19(25)11-22-8-15-5-16(9-22)7-17(6-15)10-22/h2-4,14-17H,5-13H2,1H3,(H,23,25)(H,24,27)/t14-,15?,16?,17?,22?/m1/s1