[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CN4)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC(=CN4)C(=O)C

InChI

InChI=1S/C21H27N3O5/c1-11(25)16-6-17(22-10-16)19(27)29-12(2)18(26)23-20(28)24-21-7-13-3-14(8-21)5-15(4-13)9-21/h6,10,12-15,22H,3-5,7-9H2,1-2H3,(H2,23,24,26,28)/t12-,13?,14?,15?,21?/m1/s1