[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H32N4O5 MolecularWeight: 408.49188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O5/c1-11(2)16(17(26)23-18(21)27)29-15(25)3-4-22-19(28)24-20-8-12-5-13(9-20)7-14(6-12)10-20/h11-14,16H,3-10H2,1-2H3,(H2,22,24,28)(H3,21,23,26,27)