[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H35N3O4 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O4/c1-3-17(4-2)23-18(25)13-28-19(26)5-6-22-20(27)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h14-17H,3-13H2,1-2H3,(H,23,25)(H2,22,24,27)