[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H31N3O4/c1-3-5-21-18(25)13(2)27-17(24)4-6-22-19(26)23-20-10-14-7-15(11-20)9-16(8-14)12-20/h3,13-16H,1,4-12H2,2H3,(H,21,25)(H2,22,23,26)