4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]-1-piperidyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[[(1-adamantylamino)-oxomethyl]amino]methyl]-1-piperidinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[(1-adamantylcarbamoylamino)methyl]piperidino]-4-keto-butyric acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC1CNC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)CCC(=O)O

InChI

InChI=1S/C21H33N3O4/c25-18(1-2-19(26)27)24-5-3-14(4-6-24)13-22-20(28)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h14-17H,1-13H2,(H,26,27)(H2,22,23,28)