[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H32N4O5 MolecularWeight: 408.49188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H32N4O5/c1-12(2)22-19(28)23-16(25)11-29-17(26)3-4-21-18(27)24-20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15H,3-11H2,1-2H3,(H2,21,24,27)(H2,22,23,25,28)