methyl (2R)-4-[2-[2-(1-adamantyl)ethanoylamino]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[2-(1-adamantyl)ethanoylamino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H30N2O4S/c1-26-19(25)16-12-22(2-3-27-16)18(24)11-21-17(23)10-20-7-13-4-14(8-20)6-15(5-13)9-20/h13-16H,2-12H2,1H3,(H,21,23)/t13?,14?,15?,16-,20?/m1/s1